N-[(3-chloro-2-methylphenyl)methyl]-4-(2-oxopyrrolidin-1-yl)butanamide

C16H21ClN2O2 — CID 77087995

IUPACN-[(3-chloro-2-methylphenyl)methyl]-4-(2-oxopyrrolidin-1-yl)butanamide
SMILESCc1c(Cl)cccc1CNC(=O)CCCN1CCCC1=O
InChIInChI=1S/C16H21ClN2O2/c1-12-13(5-2-6-14(12)17)11-18-15(20)7-3-9-19-10-4-8-16(19)21/h2,5-6H,3-4,7-11H2,1H3,(H,18,20)
InChIKeyRSGVSSFHIQYHNT-UHFFFAOYSA-N
MW308.81 g/mol
LogP2.67
Rot. Bonds6

About N-[(3-chloro-2-methylphenyl)methyl]-4-(2-oxopyrrolidin-1-yl)butanamide

N-[(3-chloro-2-methylphenyl)methyl]-4-(2-oxopyrrolidin-1-yl)butanamide (PubChem CID 77087995) has the molecular formula C16H21ClN2O2 and a molecular weight of 308.81 g/mol. Its IUPAC name is N-[(3-chloro-2-methylphenyl)methyl]-4-(2-oxopyrrolidin-1-yl)butanamide.

Molecular Properties

Compound NameN-[(3-chloro-2-methylphenyl)methyl]-4-(2-oxopyrrolidin-1-yl)butanamide
PubChem CID77087995
Molecular FormulaC16H21ClN2O2
Molecular Weight308.81 g/mol
Exact Mass308.13
IUPAC NameN-[(3-chloro-2-methylphenyl)methyl]-4-(2-oxopyrrolidin-1-yl)butanamide
SMILESCc1c(Cl)cccc1CNC(=O)CCCN1CCCC1=O
InChIInChI=1S/C16H21ClN2O2/c1-12-13(5-2-6-14(12)17)11-18-15(20)7-3-9-19-10-4-8-16(19)21/h2,5-6H,3-4,7-11H2,1H3,(H,18,20)
InChIKeyRSGVSSFHIQYHNT-UHFFFAOYSA-N
XLogP2.67
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-2-methylphenyl)methyl]-4-(2-oxopyrrolidin-1-yl)butanamide?
The IUPAC name of N-[(3-chloro-2-methylphenyl)methyl]-4-(2-oxopyrrolidin-1-yl)butanamide (CID 77087995) is N-[(3-chloro-2-methylphenyl)methyl]-4-(2-oxopyrrolidin-1-yl)butanamide.
What is the SMILES notation for N-[(3-chloro-2-methylphenyl)methyl]-4-(2-oxopyrrolidin-1-yl)butanamide?
The canonical SMILES for N-[(3-chloro-2-methylphenyl)methyl]-4-(2-oxopyrrolidin-1-yl)butanamide is Cc1c(Cl)cccc1CNC(=O)CCCN1CCCC1=O.
What is the InChIKey of N-[(3-chloro-2-methylphenyl)methyl]-4-(2-oxopyrrolidin-1-yl)butanamide?
The InChIKey is RSGVSSFHIQYHNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O2/c1-12-13(5-2-6-14(12)17)11-18-15(20)7-3-9-19-10-4-8-16(19)21/h2,5-6H,3-4,7-11H2,1H3,(H,18,20).
What are the key properties of N-[(3-chloro-2-methylphenyl)methyl]-4-(2-oxopyrrolidin-1-yl)butanamide?
N-[(3-chloro-2-methylphenyl)methyl]-4-(2-oxopyrrolidin-1-yl)butanamide has a molecular weight of 308.81 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-2-methylphenyl)methyl]-4-(2-oxopyrrolidin-1-yl)butanamide is sourced from PubChem (CID 77087995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).