(2R)-N-[(2-chlorophenyl)methyl]-2-(3-oxo-1H-isoindol-2-yl)pentanamide

C20H21ClN2O2 — CID 92688946

IUPAC(2R)-N-[(2-chlorophenyl)methyl]-2-(3-oxo-1H-isoindol-2-yl)pentanamide
SMILESCCC[C@H](C(=O)NCc1ccccc1Cl)N1Cc2ccccc2C1=O
InChIInChI=1S/C20H21ClN2O2/c1-2-7-18(19(24)22-12-14-8-4-6-11-17(14)21)23-13-15-9-3-5-10-16(15)20(23)25/h3-6,8-11,18H,2,7,12-13H2,1H3,(H,22,24)/t18-/m1/s1
InChIKeyMQSJIGBVHVWCRW-GOSISDBHSA-N
MW356.85 g/mol
LogP3.78
Rot. Bonds6

About (2R)-N-[(2-chlorophenyl)methyl]-2-(3-oxo-1H-isoindol-2-yl)pentanamide

(2R)-N-[(2-chlorophenyl)methyl]-2-(3-oxo-1H-isoindol-2-yl)pentanamide (PubChem CID 92688946) has the molecular formula C20H21ClN2O2 and a molecular weight of 356.85 g/mol. Its IUPAC name is (2R)-N-[(2-chlorophenyl)methyl]-2-(3-oxo-1H-isoindol-2-yl)pentanamide.

Molecular Properties

Compound Name(2R)-N-[(2-chlorophenyl)methyl]-2-(3-oxo-1H-isoindol-2-yl)pentanamide
PubChem CID92688946
Molecular FormulaC20H21ClN2O2
Molecular Weight356.85 g/mol
Exact Mass356.13
IUPAC Name(2R)-N-[(2-chlorophenyl)methyl]-2-(3-oxo-1H-isoindol-2-yl)pentanamide
SMILESCCC[C@H](C(=O)NCc1ccccc1Cl)N1Cc2ccccc2C1=O
InChIInChI=1S/C20H21ClN2O2/c1-2-7-18(19(24)22-12-14-8-4-6-11-17(14)21)23-13-15-9-3-5-10-16(15)20(23)25/h3-6,8-11,18H,2,7,12-13H2,1H3,(H,22,24)/t18-/m1/s1
InChIKeyMQSJIGBVHVWCRW-GOSISDBHSA-N
XLogP3.78
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.85
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(3-oxo-1H-isoindol-2-yl)pentanoic acid
CID 54278547
(2R)-N-(4-fluorophenyl)-2-(3-oxo-1H-isoindol-2-yl)pentanamide
CID 92742007
(2R)-N-(3-methylsulfanylphenyl)-2-(3-oxo-1H-isoindol-2-yl)pentanamide
CID 92721997
2-(3-oxo-1H-isoindol-2-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]butanamide
CID 131922833
(2R)-N-[(2-chlorophenyl)methyl]-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 2495850
N-(2-methylpropyl)-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide
CID 71947985
2-(3-oxo-1H-isoindol-2-yl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]butanamide
CID 74234179
(2R)-4-methyl-2-(3-oxo-1H-isoindol-2-yl)-N-(thiophen-2-ylmethyl)pentanamide
CID 92688715
N-[2-(4-chlorophenyl)ethyl]-4-methyl-2-(3-oxo-1H-isoindol-2-yl)pentanamide
CID 20905716
(2S)-2-(3-oxo-1H-isoindol-2-yl)-3-phenyl-N-(3-phenylpropyl)propanamide
CID 92688536
N-(furan-2-ylmethyl)-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide
CID 71947979
N-[2-(diethylamino)ethyl]-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide
CID 20905607

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2-chlorophenyl)methyl]-2-(3-oxo-1H-isoindol-2-yl)pentanamide?
The IUPAC name of (2R)-N-[(2-chlorophenyl)methyl]-2-(3-oxo-1H-isoindol-2-yl)pentanamide (CID 92688946) is (2R)-N-[(2-chlorophenyl)methyl]-2-(3-oxo-1H-isoindol-2-yl)pentanamide.
What is the SMILES notation for (2R)-N-[(2-chlorophenyl)methyl]-2-(3-oxo-1H-isoindol-2-yl)pentanamide?
The canonical SMILES for (2R)-N-[(2-chlorophenyl)methyl]-2-(3-oxo-1H-isoindol-2-yl)pentanamide is CCC[C@H](C(=O)NCc1ccccc1Cl)N1Cc2ccccc2C1=O.
What is the InChIKey of (2R)-N-[(2-chlorophenyl)methyl]-2-(3-oxo-1H-isoindol-2-yl)pentanamide?
The InChIKey is MQSJIGBVHVWCRW-GOSISDBHSA-N. The full InChI is InChI=1S/C20H21ClN2O2/c1-2-7-18(19(24)22-12-14-8-4-6-11-17(14)21)23-13-15-9-3-5-10-16(15)20(23)25/h3-6,8-11,18H,2,7,12-13H2,1H3,(H,22,24)/t18-/m1/s1.
What are the key properties of (2R)-N-[(2-chlorophenyl)methyl]-2-(3-oxo-1H-isoindol-2-yl)pentanamide?
(2R)-N-[(2-chlorophenyl)methyl]-2-(3-oxo-1H-isoindol-2-yl)pentanamide has a molecular weight of 356.85 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2-chlorophenyl)methyl]-2-(3-oxo-1H-isoindol-2-yl)pentanamide is sourced from PubChem (CID 92688946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).