(1S)-N-(3-chloro-2-methylphenyl)-2,2-bis(3-methylphenyl)cyclopropane-1-carboxamide

C25H24ClNO — CID 7034112

IUPAC(1S)-N-(3-chloro-2-methylphenyl)-2,2-bis(3-methylphenyl)cyclopropane-1-carboxamide
SMILESCc1cccc(C2(c3cccc(C)c3)C[C@@H]2C(=O)Nc2cccc(Cl)c2C)c1
InChIInChI=1S/C25H24ClNO/c1-16-7-4-9-19(13-16)25(20-10-5-8-17(2)14-20)15-21(25)24(28)27-23-12-6-11-22(26)18(23)3/h4-14,21H,15H2,1-3H3,(H,27,28)/t21-/m1/s1
InChIKeyAAMXBAVOSQTODI-OAQYLSRUSA-N
MW389.93 g/mol
LogP6.21
Rot. Bonds4

About (1S)-N-(3-chloro-2-methylphenyl)-2,2-bis(3-methylphenyl)cyclopropane-1-carboxamide

(1S)-N-(3-chloro-2-methylphenyl)-2,2-bis(3-methylphenyl)cyclopropane-1-carboxamide (PubChem CID 7034112) has the molecular formula C25H24ClNO and a molecular weight of 389.93 g/mol. Its IUPAC name is (1S)-N-(3-chloro-2-methylphenyl)-2,2-bis(3-methylphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1S)-N-(3-chloro-2-methylphenyl)-2,2-bis(3-methylphenyl)cyclopropane-1-carboxamide
PubChem CID7034112
Molecular FormulaC25H24ClNO
Molecular Weight389.93 g/mol
Exact Mass389.15
IUPAC Name(1S)-N-(3-chloro-2-methylphenyl)-2,2-bis(3-methylphenyl)cyclopropane-1-carboxamide
SMILESCc1cccc(C2(c3cccc(C)c3)C[C@@H]2C(=O)Nc2cccc(Cl)c2C)c1
InChIInChI=1S/C25H24ClNO/c1-16-7-4-9-19(13-16)25(20-10-5-8-17(2)14-20)15-21(25)24(28)27-23-12-6-11-22(26)18(23)3/h4-14,21H,15H2,1-3H3,(H,27,28)/t21-/m1/s1
InChIKeyAAMXBAVOSQTODI-OAQYLSRUSA-N
XLogP6.21
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.93
LogP ≤ 56.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1S)-N-(3-chloro-2-methylphenyl)-2,2-bis(3-methylphenyl)cyclopropane-1-carboxamide with MolForge

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Related Compounds

N-(2-fluorophenyl)-2,2-bis(3-methylphenyl)cyclopropane-1-carboxamide
CID 2895062
(1S)-N-(3-chlorophenyl)-2,2-bis(3-methylphenyl)cyclopropane-1-carboxamide
CID 7033241
(1R)-2,2-bis(3-methylphenyl)-N-(2,4,6-trimethylphenyl)cyclopropane-1-carboxamide
CID 7033256
(1S)-2,2-bis(3-methylphenyl)-N-(2,4,6-trimethylphenyl)cyclopropane-1-carboxamide
CID 7033255
(1R)-N-(2,4-dimethylphenyl)-2,2-diphenylcyclopropane-1-carboxamide
CID 1381012
2-N-(3-chloro-2-methylphenyl)-1-N-(2,5-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141595
(1R)-N-(4-ethoxyphenyl)-2,2-bis(3-methylphenyl)cyclopropane-1-carboxamide
CID 1040817
2-N-(3-chloro-2-methylphenyl)-1-N-(2,5-dichlorophenyl)cyclopropane-1,2-dicarboxamide
CID 109143029
2-N-(3-chloro-2-methylphenyl)-1-N-(3,5-dichlorophenyl)cyclopropane-1,2-dicarboxamide
CID 109143030
(1R)-N-[(E)-(4-hydroxyphenyl)methylideneamino]-2,2-bis(3-methylphenyl)cyclopropane-1-carboxamide
CID 135571945
1-N-(3-chloro-2-methylphenyl)-2-N-[(3-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109135371
1,3-bis(3-chloro-2-methylphenyl)urea
CID 588174

Frequently Asked Questions

What is the IUPAC name of (1S)-N-(3-chloro-2-methylphenyl)-2,2-bis(3-methylphenyl)cyclopropane-1-carboxamide?
The IUPAC name of (1S)-N-(3-chloro-2-methylphenyl)-2,2-bis(3-methylphenyl)cyclopropane-1-carboxamide (CID 7034112) is (1S)-N-(3-chloro-2-methylphenyl)-2,2-bis(3-methylphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for (1S)-N-(3-chloro-2-methylphenyl)-2,2-bis(3-methylphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for (1S)-N-(3-chloro-2-methylphenyl)-2,2-bis(3-methylphenyl)cyclopropane-1-carboxamide is Cc1cccc(C2(c3cccc(C)c3)C[C@@H]2C(=O)Nc2cccc(Cl)c2C)c1.
What is the InChIKey of (1S)-N-(3-chloro-2-methylphenyl)-2,2-bis(3-methylphenyl)cyclopropane-1-carboxamide?
The InChIKey is AAMXBAVOSQTODI-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H24ClNO/c1-16-7-4-9-19(13-16)25(20-10-5-8-17(2)14-20)15-21(25)24(28)27-23-12-6-11-22(26)18(23)3/h4-14,21H,15H2,1-3H3,(H,27,28)/t21-/m1/s1.
What are the key properties of (1S)-N-(3-chloro-2-methylphenyl)-2,2-bis(3-methylphenyl)cyclopropane-1-carboxamide?
(1S)-N-(3-chloro-2-methylphenyl)-2,2-bis(3-methylphenyl)cyclopropane-1-carboxamide has a molecular weight of 389.93 g/mol, XLogP of 6.21, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-(3-chloro-2-methylphenyl)-2,2-bis(3-methylphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 7034112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).