4-chloro-N-[3-(cyclohexylamino)-3-oxopropyl]benzamide

C16H21ClN2O2 — CID 4822526

IUPAC4-chloro-N-[3-(cyclohexylamino)-3-oxopropyl]benzamide
SMILESO=C(CCNC(=O)c1ccc(Cl)cc1)NC1CCCCC1
InChIInChI=1S/C16H21ClN2O2/c17-13-8-6-12(7-9-13)16(21)18-11-10-15(20)19-14-4-2-1-3-5-14/h6-9,14H,1-5,10-11H2,(H,18,21)(H,19,20)
InChIKeyHKUKXUGKWXXGLE-UHFFFAOYSA-N
MW308.81 g/mol
LogP2.91
Rot. Bonds5

About 4-chloro-N-[3-(cyclohexylamino)-3-oxopropyl]benzamide

4-chloro-N-[3-(cyclohexylamino)-3-oxopropyl]benzamide (PubChem CID 4822526) has the molecular formula C16H21ClN2O2 and a molecular weight of 308.81 g/mol. Its IUPAC name is 4-chloro-N-[3-(cyclohexylamino)-3-oxopropyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[3-(cyclohexylamino)-3-oxopropyl]benzamide
PubChem CID4822526
Molecular FormulaC16H21ClN2O2
Molecular Weight308.81 g/mol
Exact Mass308.13
IUPAC Name4-chloro-N-[3-(cyclohexylamino)-3-oxopropyl]benzamide
SMILESO=C(CCNC(=O)c1ccc(Cl)cc1)NC1CCCCC1
InChIInChI=1S/C16H21ClN2O2/c17-13-8-6-12(7-9-13)16(21)18-11-10-15(20)19-14-4-2-1-3-5-14/h6-9,14H,1-5,10-11H2,(H,18,21)(H,19,20)
InChIKeyHKUKXUGKWXXGLE-UHFFFAOYSA-N
XLogP2.91
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-[3-(cyclopentylamino)-3-oxopropyl]benzamide
CID 9215115
4-bromo-N-[3-(cyclooctylamino)-3-oxopropyl]benzamide
CID 24635141
1-N-[2-(4-chlorophenyl)ethyl]-4-N-cyclopentylbenzene-1,4-dicarboxamide
CID 109044439
[2-(cyclopropylamino)-2-oxoethyl] 3-[(4-chlorobenzoyl)amino]propanoate
CID 7827370
N-[3-(cyclohexylamino)-3-oxopropyl]-4-[(3R)-piperidin-3-yl]benzamide
CID 97200837
N-[2-[[amino-(cyclohexylamino)methylidene]amino]ethyl]-4-chlorobenzamide;hydroiodide
CID 111042945
4-chloro-N-[3-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]amino]-3-oxopropyl]benzamide
CID 11920009
4-tert-butyl-N-[3-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-3-oxopropyl]benzamide
CID 24504193
4-chloro-N-[3-(cyclohexylamino)-3-oxopropyl]-1H-pyrrole-2-carboxamide
CID 47342565
2,4-dichloro-N-[3-(cyclohexylamino)-3-oxopropyl]-5-fluorobenzamide
CID 60552301
4-chloro-N-[4-oxo-4-(pyrrolidin-3-ylamino)butyl]benzamide
CID 119451983
3-[2-(4-chlorophenyl)ethylamino]-N-cyclopentylpropanamide
CID 109013461

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-(cyclohexylamino)-3-oxopropyl]benzamide?
The IUPAC name of 4-chloro-N-[3-(cyclohexylamino)-3-oxopropyl]benzamide (CID 4822526) is 4-chloro-N-[3-(cyclohexylamino)-3-oxopropyl]benzamide.
What is the SMILES notation for 4-chloro-N-[3-(cyclohexylamino)-3-oxopropyl]benzamide?
The canonical SMILES for 4-chloro-N-[3-(cyclohexylamino)-3-oxopropyl]benzamide is O=C(CCNC(=O)c1ccc(Cl)cc1)NC1CCCCC1.
What is the InChIKey of 4-chloro-N-[3-(cyclohexylamino)-3-oxopropyl]benzamide?
The InChIKey is HKUKXUGKWXXGLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O2/c17-13-8-6-12(7-9-13)16(21)18-11-10-15(20)19-14-4-2-1-3-5-14/h6-9,14H,1-5,10-11H2,(H,18,21)(H,19,20).
What are the key properties of 4-chloro-N-[3-(cyclohexylamino)-3-oxopropyl]benzamide?
4-chloro-N-[3-(cyclohexylamino)-3-oxopropyl]benzamide has a molecular weight of 308.81 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-(cyclohexylamino)-3-oxopropyl]benzamide is sourced from PubChem (CID 4822526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).