2-chloro-N-[1-[cyclopentyl(methyl)amino]-3,3-dimethyl-1-oxobutan-2-yl]benzamide

C19H27ClN2O2 — CID 143102846

IUPAC2-chloro-N-[1-[cyclopentyl(methyl)amino]-3,3-dimethyl-1-oxobutan-2-yl]benzamide
SMILESCN(C(=O)C(NC(=O)c1ccccc1Cl)C(C)(C)C)C1CCCC1
InChIInChI=1S/C19H27ClN2O2/c1-19(2,3)16(18(24)22(4)13-9-5-6-10-13)21-17(23)14-11-7-8-12-15(14)20/h7-8,11-13,16H,5-6,9-10H2,1-4H3,(H,21,23)
InChIKeyWRNFUQBDLXBMFI-UHFFFAOYSA-N
MW350.89 g/mol
LogP3.89
Rot. Bonds4

About 2-chloro-N-[1-[cyclopentyl(methyl)amino]-3,3-dimethyl-1-oxobutan-2-yl]benzamide

2-chloro-N-[1-[cyclopentyl(methyl)amino]-3,3-dimethyl-1-oxobutan-2-yl]benzamide (PubChem CID 143102846) has the molecular formula C19H27ClN2O2 and a molecular weight of 350.89 g/mol. Its IUPAC name is 2-chloro-N-[1-[cyclopentyl(methyl)amino]-3,3-dimethyl-1-oxobutan-2-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[1-[cyclopentyl(methyl)amino]-3,3-dimethyl-1-oxobutan-2-yl]benzamide
PubChem CID143102846
Molecular FormulaC19H27ClN2O2
Molecular Weight350.89 g/mol
Exact Mass350.18
IUPAC Name2-chloro-N-[1-[cyclopentyl(methyl)amino]-3,3-dimethyl-1-oxobutan-2-yl]benzamide
SMILESCN(C(=O)C(NC(=O)c1ccccc1Cl)C(C)(C)C)C1CCCC1
InChIInChI=1S/C19H27ClN2O2/c1-19(2,3)16(18(24)22(4)13-9-5-6-10-13)21-17(23)14-11-7-8-12-15(14)20/h7-8,11-13,16H,5-6,9-10H2,1-4H3,(H,21,23)
InChIKeyWRNFUQBDLXBMFI-UHFFFAOYSA-N
XLogP3.89
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.89
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-[1-[cyclopentyl(methyl)amino]-3,3-dimethyl-1-oxobutan-2-yl]-4-(propanoylamino)benzamide
CID 143111105
[2-[cyclohexyl(methyl)amino]-2-oxoethyl] (2S)-2-[(2-chlorobenzoyl)amino]propanoate
CID 7570623
2-chloro-N-[4-(dicyclohexylcarbamoyl)phenyl]benzamide
CID 2214995
(2S)-2-[(2,3-dichlorobenzoyl)amino]-3,3-dimethylbutanoic acid
CID 61145041
N-[1-(2-chloropyridine-3-carbonyl)piperidin-4-yl]-2-[[2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]amino]-N,3,3-trimethylbutanamide
CID 76842978
4-chloro-N-[1-[cyclopentyl(methyl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 112802698
2-amino-N-cyclopentyl-N,3,3-trimethylbutanamide
CID 76893337
2-chloro-N-(2,2,2-trichloro-1-hydroxyethyl)benzamide
CID 3574843
N-[(2S)-1-[[(2R,4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-2-chlorobenzamide
CID 32689439
3-[(2-chlorophenyl)methyl]-1-cyclohexyl-1-methylurea
CID 108897626
2-[4-[(2-chlorobenzoyl)amino]piperidin-1-yl]-N-cyclohexyl-N-methylbenzamide
CID 46038313
2-(2-chlorophenyl)-N-cyclopentyl-N-methylacetamide
CID 166712612

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-[cyclopentyl(methyl)amino]-3,3-dimethyl-1-oxobutan-2-yl]benzamide?
The IUPAC name of 2-chloro-N-[1-[cyclopentyl(methyl)amino]-3,3-dimethyl-1-oxobutan-2-yl]benzamide (CID 143102846) is 2-chloro-N-[1-[cyclopentyl(methyl)amino]-3,3-dimethyl-1-oxobutan-2-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[1-[cyclopentyl(methyl)amino]-3,3-dimethyl-1-oxobutan-2-yl]benzamide?
The canonical SMILES for 2-chloro-N-[1-[cyclopentyl(methyl)amino]-3,3-dimethyl-1-oxobutan-2-yl]benzamide is CN(C(=O)C(NC(=O)c1ccccc1Cl)C(C)(C)C)C1CCCC1.
What is the InChIKey of 2-chloro-N-[1-[cyclopentyl(methyl)amino]-3,3-dimethyl-1-oxobutan-2-yl]benzamide?
The InChIKey is WRNFUQBDLXBMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN2O2/c1-19(2,3)16(18(24)22(4)13-9-5-6-10-13)21-17(23)14-11-7-8-12-15(14)20/h7-8,11-13,16H,5-6,9-10H2,1-4H3,(H,21,23).
What are the key properties of 2-chloro-N-[1-[cyclopentyl(methyl)amino]-3,3-dimethyl-1-oxobutan-2-yl]benzamide?
2-chloro-N-[1-[cyclopentyl(methyl)amino]-3,3-dimethyl-1-oxobutan-2-yl]benzamide has a molecular weight of 350.89 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-[cyclopentyl(methyl)amino]-3,3-dimethyl-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 143102846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).