N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-(cyclopropylmethylamino)acetamide

C16H20ClN3O2 — CID 119798470

IUPACN-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-(cyclopropylmethylamino)acetamide
SMILESO=C(CNCC1CC1)NC1CCN(c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C16H20ClN3O2/c17-12-3-5-13(6-4-12)20-8-7-14(16(20)22)19-15(21)10-18-9-11-1-2-11/h3-6,11,14,18H,1-2,7-10H2,(H,19,21)
InChIKeyYSQMHHGULAOEER-UHFFFAOYSA-N
MW321.81 g/mol
LogP1.56
Rot. Bonds6

About N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-(cyclopropylmethylamino)acetamide

N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-(cyclopropylmethylamino)acetamide (PubChem CID 119798470) has the molecular formula C16H20ClN3O2 and a molecular weight of 321.81 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-(cyclopropylmethylamino)acetamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-(cyclopropylmethylamino)acetamide
PubChem CID119798470
Molecular FormulaC16H20ClN3O2
Molecular Weight321.81 g/mol
Exact Mass321.12
IUPAC NameN-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-(cyclopropylmethylamino)acetamide
SMILESO=C(CNCC1CC1)NC1CCN(c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C16H20ClN3O2/c17-12-3-5-13(6-4-12)20-8-7-14(16(20)22)19-15(21)10-18-9-11-1-2-11/h3-6,11,14,18H,1-2,7-10H2,(H,19,21)
InChIKeyYSQMHHGULAOEER-UHFFFAOYSA-N
XLogP1.56
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.81
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylmethylamino)-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]acetamide;hydrochloride
CID 119815372
2-(cyclopropylmethylamino)-N-(2-oxo-1-phenylpiperidin-3-yl)acetamide;hydrochloride
CID 119787603
2-(cyclopropylmethylamino)-N-[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]acetamide;hydrochloride
CID 119814077
N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-(1-hydroxycyclopentyl)acetamide
CID 111539971
N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-4-(methylamino)butanamide
CID 119798450
4-[[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122003178
N-[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-(2-methoxyethylamino)acetamide
CID 119814150
N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 154748978
N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119798473
N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119798477
2-amino-N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]pentanamide
CID 119332076
2-[3-[[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]carbamoyl]phenoxy]acetic acid
CID 167800809

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-(cyclopropylmethylamino)acetamide?
The IUPAC name of N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-(cyclopropylmethylamino)acetamide (CID 119798470) is N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-(cyclopropylmethylamino)acetamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-(cyclopropylmethylamino)acetamide?
The canonical SMILES for N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-(cyclopropylmethylamino)acetamide is O=C(CNCC1CC1)NC1CCN(c2ccc(Cl)cc2)C1=O.
What is the InChIKey of N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-(cyclopropylmethylamino)acetamide?
The InChIKey is YSQMHHGULAOEER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O2/c17-12-3-5-13(6-4-12)20-8-7-14(16(20)22)19-15(21)10-18-9-11-1-2-11/h3-6,11,14,18H,1-2,7-10H2,(H,19,21).
What are the key properties of N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-(cyclopropylmethylamino)acetamide?
N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-(cyclopropylmethylamino)acetamide has a molecular weight of 321.81 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-(cyclopropylmethylamino)acetamide is sourced from PubChem (CID 119798470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).