N-[(2-chlorophenyl)methyl]-3-(2,4-dioxo-1H-pyrimidin-6-yl)pyrrolidine-1-carboxamide

C16H17ClN4O3 — CID 138031399

IUPACN-[(2-chlorophenyl)methyl]-3-(2,4-dioxo-1H-pyrimidin-6-yl)pyrrolidine-1-carboxamide
SMILESO=C(NCc1ccccc1Cl)N1CCC(c2cc(=O)[nH]c(=O)[nH]2)C1
InChIInChI=1S/C16H17ClN4O3/c17-12-4-2-1-3-10(12)8-18-16(24)21-6-5-11(9-21)13-7-14(22)20-15(23)19-13/h1-4,7,11H,5-6,8-9H2,(H,18,24)(H2,19,20,22,23)
InChIKeyUKOIJNVQYXFMKM-UHFFFAOYSA-N
MW348.79 g/mol
LogP1.42
Rot. Bonds3

About N-[(2-chlorophenyl)methyl]-3-(2,4-dioxo-1H-pyrimidin-6-yl)pyrrolidine-1-carboxamide

N-[(2-chlorophenyl)methyl]-3-(2,4-dioxo-1H-pyrimidin-6-yl)pyrrolidine-1-carboxamide (PubChem CID 138031399) has the molecular formula C16H17ClN4O3 and a molecular weight of 348.79 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-3-(2,4-dioxo-1H-pyrimidin-6-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-3-(2,4-dioxo-1H-pyrimidin-6-yl)pyrrolidine-1-carboxamide
PubChem CID138031399
Molecular FormulaC16H17ClN4O3
Molecular Weight348.79 g/mol
Exact Mass348.10
IUPAC NameN-[(2-chlorophenyl)methyl]-3-(2,4-dioxo-1H-pyrimidin-6-yl)pyrrolidine-1-carboxamide
SMILESO=C(NCc1ccccc1Cl)N1CCC(c2cc(=O)[nH]c(=O)[nH]2)C1
InChIInChI=1S/C16H17ClN4O3/c17-12-4-2-1-3-10(12)8-18-16(24)21-6-5-11(9-21)13-7-14(22)20-15(23)19-13/h1-4,7,11H,5-6,8-9H2,(H,18,24)(H2,19,20,22,23)
InChIKeyUKOIJNVQYXFMKM-UHFFFAOYSA-N
XLogP1.42
TPSA98.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.79
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chlorophenyl)methyl]-4-(hydroxymethyl)piperidine-1-carboxamide
CID 110894603
N-[(2-chlorophenyl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 110698237
N-[(2-chlorophenyl)methyl]-3,5-dimethylpiperidine-1-carboxamide
CID 108897666
(3S)-3-phenyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolidine-1-carboxamide
CID 95342259
(2S)-1-[(2-chlorophenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 28509931
4-N-[(2-chlorophenyl)methyl]-1-N-(2-oxopyrrolidin-3-yl)piperidine-1,4-dicarboxamide
CID 122558552
N-[(2-chlorophenyl)methyl]-3-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propanamide
CID 95760417
1-[(2-chlorophenyl)methylcarbamoyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79382598
N-[(2-chlorophenyl)methyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 136832010
N-[(2-chlorophenyl)methyl]cyclobutanecarboxamide
CID 17173308
(3S)-3-amino-N-[(2,3-dichlorophenyl)methyl]piperidine-1-carboxamide
CID 131895525
N-[(2-chlorophenyl)methyl]-1,5-dioxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 3851823

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-3-(2,4-dioxo-1H-pyrimidin-6-yl)pyrrolidine-1-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-3-(2,4-dioxo-1H-pyrimidin-6-yl)pyrrolidine-1-carboxamide (CID 138031399) is N-[(2-chlorophenyl)methyl]-3-(2,4-dioxo-1H-pyrimidin-6-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-3-(2,4-dioxo-1H-pyrimidin-6-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-3-(2,4-dioxo-1H-pyrimidin-6-yl)pyrrolidine-1-carboxamide is O=C(NCc1ccccc1Cl)N1CCC(c2cc(=O)[nH]c(=O)[nH]2)C1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-3-(2,4-dioxo-1H-pyrimidin-6-yl)pyrrolidine-1-carboxamide?
The InChIKey is UKOIJNVQYXFMKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O3/c17-12-4-2-1-3-10(12)8-18-16(24)21-6-5-11(9-21)13-7-14(22)20-15(23)19-13/h1-4,7,11H,5-6,8-9H2,(H,18,24)(H2,19,20,22,23).
What are the key properties of N-[(2-chlorophenyl)methyl]-3-(2,4-dioxo-1H-pyrimidin-6-yl)pyrrolidine-1-carboxamide?
N-[(2-chlorophenyl)methyl]-3-(2,4-dioxo-1H-pyrimidin-6-yl)pyrrolidine-1-carboxamide has a molecular weight of 348.79 g/mol, XLogP of 1.42, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-3-(2,4-dioxo-1H-pyrimidin-6-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 138031399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).