2,4-dichloro-N-(1-cyclohexylpyrrolidin-3-yl)benzamide

C17H22Cl2N2O — CID 12898848

IUPAC2,4-dichloro-N-(1-cyclohexylpyrrolidin-3-yl)benzamide
SMILESO=C(NC1CCN(C2CCCCC2)C1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H22Cl2N2O/c18-12-6-7-15(16(19)10-12)17(22)20-13-8-9-21(11-13)14-4-2-1-3-5-14/h6-7,10,13-14H,1-5,8-9,11H2,(H,20,22)
InChIKeyMFFCOKOFBFTYHN-UHFFFAOYSA-N
MW341.28 g/mol
LogP4.13
Rot. Bonds3

About 2,4-dichloro-N-(1-cyclohexylpyrrolidin-3-yl)benzamide

2,4-dichloro-N-(1-cyclohexylpyrrolidin-3-yl)benzamide (PubChem CID 12898848) has the molecular formula C17H22Cl2N2O and a molecular weight of 341.28 g/mol. Its IUPAC name is 2,4-dichloro-N-(1-cyclohexylpyrrolidin-3-yl)benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-(1-cyclohexylpyrrolidin-3-yl)benzamide
PubChem CID12898848
Molecular FormulaC17H22Cl2N2O
Molecular Weight341.28 g/mol
Exact Mass340.11
IUPAC Name2,4-dichloro-N-(1-cyclohexylpyrrolidin-3-yl)benzamide
SMILESO=C(NC1CCN(C2CCCCC2)C1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H22Cl2N2O/c18-12-6-7-15(16(19)10-12)17(22)20-13-8-9-21(11-13)14-4-2-1-3-5-14/h6-7,10,13-14H,1-5,8-9,11H2,(H,20,22)
InChIKeyMFFCOKOFBFTYHN-UHFFFAOYSA-N
XLogP4.13
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.28
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3S)-1-cycloheptylpyrrolidin-3-yl]-2,5-difluorobenzamide
CID 52860014
4-chloro-N-(1-cyclopropylpiperidin-4-yl)-2-fluorobenzamide
CID 46548528
2,4-dichloro-N-(1-ethylpiperidin-4-yl)benzamide
CID 17174058
N'-(3-chlorophenyl)-N-[(3R)-1-cyclopentylpyrrolidin-3-yl]oxamide
CID 95615028
5-amino-N-(1-cyclopentylpiperidin-4-yl)-2-methylbenzamide
CID 120641743
4-chloro-2-[(1-cyclopropylpyrrolidin-3-yl)amino]benzoic acid
CID 63081661
N-(1-cyclohexylpyrrolidin-3-yl)-1H-indole-3-carboxamide
CID 167818595
4-amino-3,5-dichloro-N-(1-cyclopropylpyrrolidin-3-yl)benzamide
CID 82833146
2-amino-N-(1-cyclopropylpyrrolidin-3-yl)-4-fluorobenzamide
CID 63110384
3-amino-2-chloro-N-(1-cyclopropylpyrrolidin-3-yl)benzamide
CID 112575801
5-chloro-N-[(3R)-1-cyclohexylpyrrolidin-3-yl]-2-methoxy-4-(propanoylamino)benzamide
CID 139674623
2-chloro-N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]benzamide
CID 30851817

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(1-cyclohexylpyrrolidin-3-yl)benzamide?
The IUPAC name of 2,4-dichloro-N-(1-cyclohexylpyrrolidin-3-yl)benzamide (CID 12898848) is 2,4-dichloro-N-(1-cyclohexylpyrrolidin-3-yl)benzamide.
What is the SMILES notation for 2,4-dichloro-N-(1-cyclohexylpyrrolidin-3-yl)benzamide?
The canonical SMILES for 2,4-dichloro-N-(1-cyclohexylpyrrolidin-3-yl)benzamide is O=C(NC1CCN(C2CCCCC2)C1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-(1-cyclohexylpyrrolidin-3-yl)benzamide?
The InChIKey is MFFCOKOFBFTYHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22Cl2N2O/c18-12-6-7-15(16(19)10-12)17(22)20-13-8-9-21(11-13)14-4-2-1-3-5-14/h6-7,10,13-14H,1-5,8-9,11H2,(H,20,22).
What are the key properties of 2,4-dichloro-N-(1-cyclohexylpyrrolidin-3-yl)benzamide?
2,4-dichloro-N-(1-cyclohexylpyrrolidin-3-yl)benzamide has a molecular weight of 341.28 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-(1-cyclohexylpyrrolidin-3-yl)benzamide is sourced from PubChem (CID 12898848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).