2-chloro-N-[4-(propylamino)cyclohexyl]benzamide

C16H23ClN2O — CID 43653408

IUPAC2-chloro-N-[4-(propylamino)cyclohexyl]benzamide
SMILESCCCNC1CCC(NC(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C16H23ClN2O/c1-2-11-18-12-7-9-13(10-8-12)19-16(20)14-5-3-4-6-15(14)17/h3-6,12-13,18H,2,7-11H2,1H3,(H,19,20)
InChIKeyFXDURNMTPOIUOD-UHFFFAOYSA-N
MW294.83 g/mol
LogP3.38
Rot. Bonds5

About 2-chloro-N-[4-(propylamino)cyclohexyl]benzamide

2-chloro-N-[4-(propylamino)cyclohexyl]benzamide (PubChem CID 43653408) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is 2-chloro-N-[4-(propylamino)cyclohexyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[4-(propylamino)cyclohexyl]benzamide
PubChem CID43653408
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC Name2-chloro-N-[4-(propylamino)cyclohexyl]benzamide
SMILESCCCNC1CCC(NC(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C16H23ClN2O/c1-2-11-18-12-7-9-13(10-8-12)19-16(20)14-5-3-4-6-15(14)17/h3-6,12-13,18H,2,7-11H2,1H3,(H,19,20)
InChIKeyFXDURNMTPOIUOD-UHFFFAOYSA-N
XLogP3.38
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-[4-(ethylamino)cyclohexyl]benzamide
CID 43653317
2,3-dihydroxy-N-[4-(propylamino)cyclohexyl]benzamide
CID 114343472
2-methoxy-N-[4-(propylamino)cyclohexyl]benzamide
CID 43653454
2-chloro-N-cyclopentylbenzamide
CID 669043
N-(1-butanoylpiperidin-4-yl)-2-chlorobenzamide
CID 110819269
trans-(1R,3R)-3-[(2-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 97318284
2-chloro-N-[2-[(N-cyclopropyl-N'-methylcarbamimidoyl)amino]ethyl]benzamide
CID 110934653
methyl 4-[(2-chlorobenzoyl)amino]piperidine-1-carboxylate
CID 47392418
2-chloro-N-(3-formylcyclopentyl)benzamide
CID 174874670
2-chloro-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]benzamide
CID 110819420
2-chloro-N-cycloheptylbenzamide;pyrrolidine
CID 143233402
4-N-[1-(2-chlorophenyl)ethyl]-4-N-methyl-1-N-propylcyclohexane-1,4-diamine
CID 114763258

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-(propylamino)cyclohexyl]benzamide?
The IUPAC name of 2-chloro-N-[4-(propylamino)cyclohexyl]benzamide (CID 43653408) is 2-chloro-N-[4-(propylamino)cyclohexyl]benzamide.
What is the SMILES notation for 2-chloro-N-[4-(propylamino)cyclohexyl]benzamide?
The canonical SMILES for 2-chloro-N-[4-(propylamino)cyclohexyl]benzamide is CCCNC1CCC(NC(=O)c2ccccc2Cl)CC1.
What is the InChIKey of 2-chloro-N-[4-(propylamino)cyclohexyl]benzamide?
The InChIKey is FXDURNMTPOIUOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O/c1-2-11-18-12-7-9-13(10-8-12)19-16(20)14-5-3-4-6-15(14)17/h3-6,12-13,18H,2,7-11H2,1H3,(H,19,20).
What are the key properties of 2-chloro-N-[4-(propylamino)cyclohexyl]benzamide?
2-chloro-N-[4-(propylamino)cyclohexyl]benzamide has a molecular weight of 294.83 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-(propylamino)cyclohexyl]benzamide is sourced from PubChem (CID 43653408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).