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

C19H17ClN6O2 — CID 154748978

IUPACN-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
SMILESO=C(Cc1ccc(-n2cnnn2)cc1)NC1CCN(c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C19H17ClN6O2/c20-14-3-7-15(8-4-14)25-10-9-17(19(25)28)22-18(27)11-13-1-5-16(6-2-13)26-12-21-23-24-26/h1-8,12,17H,9-11H2,(H,22,27)
InChIKeyAKVGOJOHLULZAI-UHFFFAOYSA-N
MW396.84 g/mol
LogP1.78
Rot. Bonds5

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

N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-[4-(tetrazol-1-yl)phenyl]acetamide (PubChem CID 154748978) has the molecular formula C19H17ClN6O2 and a molecular weight of 396.84 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-[4-(tetrazol-1-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
PubChem CID154748978
Molecular FormulaC19H17ClN6O2
Molecular Weight396.84 g/mol
Exact Mass396.11
IUPAC NameN-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
SMILESO=C(Cc1ccc(-n2cnnn2)cc1)NC1CCN(c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C19H17ClN6O2/c20-14-3-7-15(8-4-14)25-10-9-17(19(25)28)22-18(27)11-13-1-5-16(6-2-13)26-12-21-23-24-26/h1-8,12,17H,9-11H2,(H,22,27)
InChIKeyAKVGOJOHLULZAI-UHFFFAOYSA-N
XLogP1.78
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.84
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-(cyclopropylmethylamino)acetamide
CID 119798470
N-pyrrolidin-3-yl-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 119453289
N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-4-(methylamino)butanamide
CID 119798450
N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-(1-hydroxycyclopentyl)acetamide
CID 111539971
N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 95139320
N-[(1R,2S)-2-(cycloheptylamino)cyclobutyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 133138790
N-[(3-chloro-4-fluorophenyl)methyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 52852200
N-carbamoyl-4-[[2-[4-(tetrazol-1-yl)phenyl]acetyl]amino]cyclohexane-1-carboxamide
CID 167935083
5-[[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]carbamoyl]pyridine-2-carboxylic acid
CID 119137618
N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 56731320
N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 55631991
1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone
CID 111561769

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-[4-(tetrazol-1-yl)phenyl]acetamide?
The IUPAC name of N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-[4-(tetrazol-1-yl)phenyl]acetamide (CID 154748978) is N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-[4-(tetrazol-1-yl)phenyl]acetamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-[4-(tetrazol-1-yl)phenyl]acetamide?
The canonical SMILES for N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-[4-(tetrazol-1-yl)phenyl]acetamide is O=C(Cc1ccc(-n2cnnn2)cc1)NC1CCN(c2ccc(Cl)cc2)C1=O.
What is the InChIKey of N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-[4-(tetrazol-1-yl)phenyl]acetamide?
The InChIKey is AKVGOJOHLULZAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN6O2/c20-14-3-7-15(8-4-14)25-10-9-17(19(25)28)22-18(27)11-13-1-5-16(6-2-13)26-12-21-23-24-26/h1-8,12,17H,9-11H2,(H,22,27).
What are the key properties of N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-[4-(tetrazol-1-yl)phenyl]acetamide?
N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-[4-(tetrazol-1-yl)phenyl]acetamide has a molecular weight of 396.84 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-[4-(tetrazol-1-yl)phenyl]acetamide is sourced from PubChem (CID 154748978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).