2-[(4-chlorophenyl)methylcarbamoylamino]-N-pyrrolidin-3-ylacetamide

C14H19ClN4O2 — CID 119451180

IUPAC2-[(4-chlorophenyl)methylcarbamoylamino]-N-pyrrolidin-3-ylacetamide
SMILESO=C(CNC(=O)NCc1ccc(Cl)cc1)NC1CCNC1
InChIInChI=1S/C14H19ClN4O2/c15-11-3-1-10(2-4-11)7-17-14(21)18-9-13(20)19-12-5-6-16-8-12/h1-4,12,16H,5-9H2,(H,19,20)(H2,17,18,21)
InChIKeyQSHLUKBLYWRNSA-UHFFFAOYSA-N
MW310.78 g/mol
LogP0.62
Rot. Bonds5

About 2-[(4-chlorophenyl)methylcarbamoylamino]-N-pyrrolidin-3-ylacetamide

2-[(4-chlorophenyl)methylcarbamoylamino]-N-pyrrolidin-3-ylacetamide (PubChem CID 119451180) has the molecular formula C14H19ClN4O2 and a molecular weight of 310.78 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methylcarbamoylamino]-N-pyrrolidin-3-ylacetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methylcarbamoylamino]-N-pyrrolidin-3-ylacetamide
PubChem CID119451180
Molecular FormulaC14H19ClN4O2
Molecular Weight310.78 g/mol
Exact Mass310.12
IUPAC Name2-[(4-chlorophenyl)methylcarbamoylamino]-N-pyrrolidin-3-ylacetamide
SMILESO=C(CNC(=O)NCc1ccc(Cl)cc1)NC1CCNC1
InChIInChI=1S/C14H19ClN4O2/c15-11-3-1-10(2-4-11)7-17-14(21)18-9-13(20)19-12-5-6-16-8-12/h1-4,12,16H,5-9H2,(H,19,20)(H2,17,18,21)
InChIKeyQSHLUKBLYWRNSA-UHFFFAOYSA-N
XLogP0.62
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 50.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-N-pyrrolidin-3-ylacetamide
CID 62379159
1-[(4-chlorophenyl)methyl]-3-piperidin-3-ylurea
CID 117235602
1-[2-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-oxoethyl]-3-[(4-chlorophenyl)methyl]urea
CID 120656650
2-[(4-chlorophenyl)methylcarbamoylamino]-N-methyl-N-piperidin-4-ylacetamide
CID 119442370
2-[(4-chlorophenyl)methylcarbamoylamino]-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)acetamide
CID 136516477
N-[2-(aminomethyl)cyclohexyl]-2-[(4-chlorophenyl)methylcarbamoylamino]acetamide
CID 119610394
1-(pyridin-4-ylmethyl)-3-[(3R)-pyrrolidin-3-yl]urea
CID 86276993
2-[(4-chlorophenyl)methylcarbamoylamino]-N-piperidin-4-yl-N-propylacetamide
CID 119824208
2-[(4-chlorophenyl)methylcarbamoylamino]-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119392063
2-[(4-chlorophenyl)methylsulfanyl]-N-piperidin-4-ylacetamide
CID 119388300
4-chloro-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 79685775
4-chloro-N-[4-oxo-4-(pyrrolidin-3-ylamino)butyl]benzamide
CID 119451983

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methylcarbamoylamino]-N-pyrrolidin-3-ylacetamide?
The IUPAC name of 2-[(4-chlorophenyl)methylcarbamoylamino]-N-pyrrolidin-3-ylacetamide (CID 119451180) is 2-[(4-chlorophenyl)methylcarbamoylamino]-N-pyrrolidin-3-ylacetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)methylcarbamoylamino]-N-pyrrolidin-3-ylacetamide?
The canonical SMILES for 2-[(4-chlorophenyl)methylcarbamoylamino]-N-pyrrolidin-3-ylacetamide is O=C(CNC(=O)NCc1ccc(Cl)cc1)NC1CCNC1.
What is the InChIKey of 2-[(4-chlorophenyl)methylcarbamoylamino]-N-pyrrolidin-3-ylacetamide?
The InChIKey is QSHLUKBLYWRNSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4O2/c15-11-3-1-10(2-4-11)7-17-14(21)18-9-13(20)19-12-5-6-16-8-12/h1-4,12,16H,5-9H2,(H,19,20)(H2,17,18,21).
What are the key properties of 2-[(4-chlorophenyl)methylcarbamoylamino]-N-pyrrolidin-3-ylacetamide?
2-[(4-chlorophenyl)methylcarbamoylamino]-N-pyrrolidin-3-ylacetamide has a molecular weight of 310.78 g/mol, XLogP of 0.62, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methylcarbamoylamino]-N-pyrrolidin-3-ylacetamide is sourced from PubChem (CID 119451180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).