5-[(Z)-3-amino-1-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylanilino]prop-1-en-2-yl]-2-chloro-N-cyclopropylbenzamide

C24H23ClF7N3O — CID 122667545

IUPAC5-[(Z)-3-amino-1-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylanilino]prop-1-en-2-yl]-2-chloro-N-cyclopropylbenzamide
SMILESCc1cc(C(F)(C(F)(F)F)C(F)(F)F)cc(C)c1N/C=C(\CN)c1ccc(Cl)c(C(=O)NC2CC2)c1
InChIInChI=1S/C24H23ClF7N3O/c1-12-7-16(22(26,23(27,28)29)24(30,31)32)8-13(2)20(12)34-11-15(10-33)14-3-6-19(25)18(9-14)21(36)35-17-4-5-17/h3,6-9,11,17,34H,4-5,10,33H2,1-2H3,(H,35,36)/b15-11+
InChIKeyHVUJHYQCYLXKHQ-RVDMUPIBSA-N
MW537.91 g/mol
LogP6.55
Rot. Bonds7

About 5-[(Z)-3-amino-1-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylanilino]prop-1-en-2-yl]-2-chloro-N-cyclopropylbenzamide

5-[(Z)-3-amino-1-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylanilino]prop-1-en-2-yl]-2-chloro-N-cyclopropylbenzamide (PubChem CID 122667545) has the molecular formula C24H23ClF7N3O and a molecular weight of 537.91 g/mol. Its IUPAC name is 5-[(Z)-3-amino-1-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylanilino]prop-1-en-2-yl]-2-chloro-N-cyclopropylbenzamide.

Molecular Properties

Compound Name5-[(Z)-3-amino-1-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylanilino]prop-1-en-2-yl]-2-chloro-N-cyclopropylbenzamide
PubChem CID122667545
Molecular FormulaC24H23ClF7N3O
Molecular Weight537.91 g/mol
Exact Mass537.14
IUPAC Name5-[(Z)-3-amino-1-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylanilino]prop-1-en-2-yl]-2-chloro-N-cyclopropylbenzamide
SMILESCc1cc(C(F)(C(F)(F)F)C(F)(F)F)cc(C)c1N/C=C(\CN)c1ccc(Cl)c(C(=O)NC2CC2)c1
InChIInChI=1S/C24H23ClF7N3O/c1-12-7-16(22(26,23(27,28)29)24(30,31)32)8-13(2)20(12)34-11-15(10-33)14-3-6-19(25)18(9-14)21(36)35-17-4-5-17/h3,6-9,11,17,34H,4-5,10,33H2,1-2H3,(H,35,36)/b15-11+
InChIKeyHVUJHYQCYLXKHQ-RVDMUPIBSA-N
XLogP6.55
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.91
LogP ≤ 56.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 5-[(Z)-3-amino-1-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylanilino]prop-1-en-2-yl]-2-chloro-N-cyclopropylbenzamide with MolForge

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Related Compounds

2-chloro-N-cyclopropyl-5-[4-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]pyrazol-1-yl]benzamide
CID 118070127
4-chloro-1-N-cyclopropylbenzene-1,3-dicarboxamide
CID 129113636
5-[(2-aminoacetyl)amino]-2-chloro-N-cyclopropylbenzamide;hydrochloride
CID 119283832
2-chloro-N-cyclohexyl-5-(2-fluoropropan-2-yl)benzamide
CID 167056111
2,5-dichloro-N-[4-[(2,5-dichlorobenzoyl)amino]cyclohexyl]benzamide
CID 2165949
4-[(E)-1-aminoprop-1-en-2-yl]-N-cyclopropyl-2-methylbenzamide
CID 144755703
4-(aminomethyl)-3-cyclobutyl-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]benzamide
CID 163858868
2-chloro-N-[4-[(3,4-dimethylpyrazol-1-yl)methyl]cyclohexyl]-5-(trifluoromethyl)benzamide
CID 53358855
5-amino-2-chloro-N-(4-methylcyclohexyl)benzamide
CID 16796108
3-chloro-N-cyclopropyl-4-methyl-5-(methylamino)benzamide
CID 142965782
N-[4-(anilinomethyl)cyclohexyl]-2-chloro-5-(trifluoromethyl)benzamide
CID 59186865
[4-[[2-chloro-5-(trifluoromethyl)benzoyl]amino]cyclohexyl]methyl trifluoromethanesulfonate
CID 86656575

Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-3-amino-1-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylanilino]prop-1-en-2-yl]-2-chloro-N-cyclopropylbenzamide?
The IUPAC name of 5-[(Z)-3-amino-1-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylanilino]prop-1-en-2-yl]-2-chloro-N-cyclopropylbenzamide (CID 122667545) is 5-[(Z)-3-amino-1-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylanilino]prop-1-en-2-yl]-2-chloro-N-cyclopropylbenzamide.
What is the SMILES notation for 5-[(Z)-3-amino-1-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylanilino]prop-1-en-2-yl]-2-chloro-N-cyclopropylbenzamide?
The canonical SMILES for 5-[(Z)-3-amino-1-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylanilino]prop-1-en-2-yl]-2-chloro-N-cyclopropylbenzamide is Cc1cc(C(F)(C(F)(F)F)C(F)(F)F)cc(C)c1N/C=C(\CN)c1ccc(Cl)c(C(=O)NC2CC2)c1.
What is the InChIKey of 5-[(Z)-3-amino-1-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylanilino]prop-1-en-2-yl]-2-chloro-N-cyclopropylbenzamide?
The InChIKey is HVUJHYQCYLXKHQ-RVDMUPIBSA-N. The full InChI is InChI=1S/C24H23ClF7N3O/c1-12-7-16(22(26,23(27,28)29)24(30,31)32)8-13(2)20(12)34-11-15(10-33)14-3-6-19(25)18(9-14)21(36)35-17-4-5-17/h3,6-9,11,17,34H,4-5,10,33H2,1-2H3,(H,35,36)/b15-11+.
What are the key properties of 5-[(Z)-3-amino-1-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylanilino]prop-1-en-2-yl]-2-chloro-N-cyclopropylbenzamide?
5-[(Z)-3-amino-1-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylanilino]prop-1-en-2-yl]-2-chloro-N-cyclopropylbenzamide has a molecular weight of 537.91 g/mol, XLogP of 6.55, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-3-amino-1-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylanilino]prop-1-en-2-yl]-2-chloro-N-cyclopropylbenzamide is sourced from PubChem (CID 122667545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).