N-[2-chloro-5-[[(5R)-5-methyl-3-oxocyclohexen-1-yl]amino]phenyl]propanamide

C16H19ClN2O2 — CID 27307496

IUPACN-[2-chloro-5-[[(5R)-5-methyl-3-oxocyclohexen-1-yl]amino]phenyl]propanamide
SMILESCCC(=O)Nc1cc(NC2=CC(=O)C[C@H](C)C2)ccc1Cl
InChIInChI=1S/C16H19ClN2O2/c1-3-16(21)19-15-9-11(4-5-14(15)17)18-12-6-10(2)7-13(20)8-12/h4-5,8-10,18H,3,6-7H2,1-2H3,(H,19,21)/t10-/m1/s1
InChIKeyFCAYEIDAGNKSQQ-SNVBAGLBSA-N
MW306.79 g/mol
LogP3.98
Rot. Bonds4

About N-[2-chloro-5-[[(5R)-5-methyl-3-oxocyclohexen-1-yl]amino]phenyl]propanamide

N-[2-chloro-5-[[(5R)-5-methyl-3-oxocyclohexen-1-yl]amino]phenyl]propanamide (PubChem CID 27307496) has the molecular formula C16H19ClN2O2 and a molecular weight of 306.79 g/mol. Its IUPAC name is N-[2-chloro-5-[[(5R)-5-methyl-3-oxocyclohexen-1-yl]amino]phenyl]propanamide.

Molecular Properties

Compound NameN-[2-chloro-5-[[(5R)-5-methyl-3-oxocyclohexen-1-yl]amino]phenyl]propanamide
PubChem CID27307496
Molecular FormulaC16H19ClN2O2
Molecular Weight306.79 g/mol
Exact Mass306.11
IUPAC NameN-[2-chloro-5-[[(5R)-5-methyl-3-oxocyclohexen-1-yl]amino]phenyl]propanamide
SMILESCCC(=O)Nc1cc(NC2=CC(=O)C[C@H](C)C2)ccc1Cl
InChIInChI=1S/C16H19ClN2O2/c1-3-16(21)19-15-9-11(4-5-14(15)17)18-12-6-10(2)7-13(20)8-12/h4-5,8-10,18H,3,6-7H2,1-2H3,(H,19,21)/t10-/m1/s1
InChIKeyFCAYEIDAGNKSQQ-SNVBAGLBSA-N
XLogP3.98
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.79
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-Chlorophenyl)amino]-5,5-dimethylcyclohex-2-en-1-one
CID 744723
N-(2-chloro-5-nitrophenyl)-2-ethylbutanamide
CID 2164542
N-(3-amino-4-chlorophenyl)-4,4-dimethyl-3-oxopentanamide
CID 870541
N-[4-chloro-3-(propanoylamino)phenyl]butanamide
CID 2411856
N-(2-chloro-5-nitrophenyl)-2-methylpentanamide
CID 2889746
N-(2-chlorophenyl)-2-methyl-4-(2-methylpropyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 155522979
N-(2-chlorophenyl)-2-methyl-5-oxo-4-propyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 155569134
3-(4-Chloroanilino)-5-methylcyclohex-2-en-1-one
CID 10105506
3-(3-Chloroanilino)-5-methylcyclohex-2-en-1-one
CID 11107333
Pentanamide, N-(5-amino-2-chlorophenyl)-4,4-dimethyl-3-oxo-
CID 100980
N-(3-amino-4-chlorophenyl)butanamide
CID 891634
N-(4-chlorophenyl)-7,7-dimethyl-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide
CID 15988395

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-[[(5R)-5-methyl-3-oxocyclohexen-1-yl]amino]phenyl]propanamide?
The IUPAC name of N-[2-chloro-5-[[(5R)-5-methyl-3-oxocyclohexen-1-yl]amino]phenyl]propanamide (CID 27307496) is N-[2-chloro-5-[[(5R)-5-methyl-3-oxocyclohexen-1-yl]amino]phenyl]propanamide.
What is the SMILES notation for N-[2-chloro-5-[[(5R)-5-methyl-3-oxocyclohexen-1-yl]amino]phenyl]propanamide?
The canonical SMILES for N-[2-chloro-5-[[(5R)-5-methyl-3-oxocyclohexen-1-yl]amino]phenyl]propanamide is CCC(=O)Nc1cc(NC2=CC(=O)C[C@H](C)C2)ccc1Cl.
What is the InChIKey of N-[2-chloro-5-[[(5R)-5-methyl-3-oxocyclohexen-1-yl]amino]phenyl]propanamide?
The InChIKey is FCAYEIDAGNKSQQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H19ClN2O2/c1-3-16(21)19-15-9-11(4-5-14(15)17)18-12-6-10(2)7-13(20)8-12/h4-5,8-10,18H,3,6-7H2,1-2H3,(H,19,21)/t10-/m1/s1.
What are the key properties of N-[2-chloro-5-[[(5R)-5-methyl-3-oxocyclohexen-1-yl]amino]phenyl]propanamide?
N-[2-chloro-5-[[(5R)-5-methyl-3-oxocyclohexen-1-yl]amino]phenyl]propanamide has a molecular weight of 306.79 g/mol, XLogP of 3.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-[[(5R)-5-methyl-3-oxocyclohexen-1-yl]amino]phenyl]propanamide is sourced from PubChem (CID 27307496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).