N-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]cyclohexanecarboxamide

C16H21ClN2O2 — CID 5167507

IUPACN-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]cyclohexanecarboxamide
SMILESO=C(CNC(=O)C1CCCCC1)NCc1ccccc1Cl
InChIInChI=1S/C16H21ClN2O2/c17-14-9-5-4-8-13(14)10-18-15(20)11-19-16(21)12-6-2-1-3-7-12/h4-5,8-9,12H,1-3,6-7,10-11H2,(H,18,20)(H,19,21)
InChIKeyUTVUKQROTLJLIR-UHFFFAOYSA-N
MW308.81 g/mol
LogP2.65
Rot. Bonds5

About N-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]cyclohexanecarboxamide

N-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]cyclohexanecarboxamide (PubChem CID 5167507) has the molecular formula C16H21ClN2O2 and a molecular weight of 308.81 g/mol. Its IUPAC name is N-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]cyclohexanecarboxamide
PubChem CID5167507
Molecular FormulaC16H21ClN2O2
Molecular Weight308.81 g/mol
Exact Mass308.13
IUPAC NameN-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]cyclohexanecarboxamide
SMILESO=C(CNC(=O)C1CCCCC1)NCc1ccccc1Cl
InChIInChI=1S/C16H21ClN2O2/c17-14-9-5-4-8-13(14)10-18-15(20)11-19-16(21)12-6-2-1-3-7-12/h4-5,8-9,12H,1-3,6-7,10-11H2,(H,18,20)(H,19,21)
InChIKeyUTVUKQROTLJLIR-UHFFFAOYSA-N
XLogP2.65
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 ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-chlorophenyl)methyl]cyclobutanecarboxamide
CID 17173308
N-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]cyclohexanecarboxamide
CID 18105806
N-[(2-chlorophenyl)methyl]cyclopropanecarboxamide
CID 899098
N-[(2-chlorophenyl)methyl]-3-(cycloheptylamino)propanamide
CID 109021356
N-[(2-hydroxyphenyl)methyl]cyclopentanecarboxamide
CID 110470991
N-[(2-chlorophenyl)methyl]thiane-4-carboxamide
CID 110851376
N-[2-(benzhydrylamino)-2-oxoethyl]cyclohexanecarboxamide
CID 18104757
N-[2-(2-chloroanilino)-2-oxoethyl]cyclobutanecarboxamide
CID 112997775
N-[2-[(2-chlorophenyl)methylamino]ethyl]cyclopropanecarboxamide
CID 113218812
4-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]-N-cyclohexylbenzamide
CID 54844214
(1R)-N-[(2-chlorophenyl)methyl]cyclohex-3-ene-1-carboxamide
CID 9401002
4-[[[2-(cyclohexanecarbonylamino)acetyl]amino]methyl]benzoic acid
CID 45423811

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]cyclohexanecarboxamide (CID 5167507) is N-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]cyclohexanecarboxamide is O=C(CNC(=O)C1CCCCC1)NCc1ccccc1Cl.
What is the InChIKey of N-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]cyclohexanecarboxamide?
The InChIKey is UTVUKQROTLJLIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O2/c17-14-9-5-4-8-13(14)10-18-15(20)11-19-16(21)12-6-2-1-3-7-12/h4-5,8-9,12H,1-3,6-7,10-11H2,(H,18,20)(H,19,21).
What are the key properties of N-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]cyclohexanecarboxamide?
N-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]cyclohexanecarboxamide has a molecular weight of 308.81 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]cyclohexanecarboxamide is sourced from PubChem (CID 5167507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).