2-chloro-4-[[(3R)-2-oxopyrrolidin-3-yl]carbamoylamino]-N-propylbenzamide

C15H19ClN4O3 — CID 125169762

IUPAC2-chloro-4-[[(3R)-2-oxopyrrolidin-3-yl]carbamoylamino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(NC(=O)N[C@@H]2CCNC2=O)cc1Cl
InChIInChI=1S/C15H19ClN4O3/c1-2-6-17-13(21)10-4-3-9(8-11(10)16)19-15(23)20-12-5-7-18-14(12)22/h3-4,8,12H,2,5-7H2,1H3,(H,17,21)(H,18,22)(H2,19,20,23)/t12-/m1/s1
InChIKeyGSONYJQELJMQDC-GFCCVEGCSA-N
MW338.80 g/mol
LogP1.49
Rot. Bonds5

About 2-chloro-4-[[(3R)-2-oxopyrrolidin-3-yl]carbamoylamino]-N-propylbenzamide

2-chloro-4-[[(3R)-2-oxopyrrolidin-3-yl]carbamoylamino]-N-propylbenzamide (PubChem CID 125169762) has the molecular formula C15H19ClN4O3 and a molecular weight of 338.80 g/mol. Its IUPAC name is 2-chloro-4-[[(3R)-2-oxopyrrolidin-3-yl]carbamoylamino]-N-propylbenzamide.

Molecular Properties

Compound Name2-chloro-4-[[(3R)-2-oxopyrrolidin-3-yl]carbamoylamino]-N-propylbenzamide
PubChem CID125169762
Molecular FormulaC15H19ClN4O3
Molecular Weight338.80 g/mol
Exact Mass338.11
IUPAC Name2-chloro-4-[[(3R)-2-oxopyrrolidin-3-yl]carbamoylamino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(NC(=O)N[C@@H]2CCNC2=O)cc1Cl
InChIInChI=1S/C15H19ClN4O3/c1-2-6-17-13(21)10-4-3-9(8-11(10)16)19-15(23)20-12-5-7-18-14(12)22/h3-4,8,12H,2,5-7H2,1H3,(H,17,21)(H,18,22)(H2,19,20,23)/t12-/m1/s1
InChIKeyGSONYJQELJMQDC-GFCCVEGCSA-N
XLogP1.49
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.80
LogP ≤ 51.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-[[(3R,4R)-3-hydroxypiperidin-4-yl]carbamoylamino]-N-propylbenzamide
CID 74235033
methyl 2-chloro-5-[(2-oxopyrrolidin-3-yl)carbamoylamino]benzoate
CID 118788746
2-chloro-N-propyl-5-[[(3R)-pyrrolidin-3-yl]carbamoylamino]benzamide
CID 74238360
N-[3-chloro-4-(propylcarbamoyl)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119302844
2-chloro-4-[[(E)-3-(3-chlorophenyl)prop-2-enoyl]amino]-N-propylbenzamide
CID 60576616
2-chloro-N-propyl-4-(3-pyridin-2-ylpropylcarbamoylamino)benzamide
CID 72871559
1-[2-methyl-5-[[(3R)-2-oxoazepan-3-yl]carbamoylamino]phenyl]-3-[(3S)-2-oxoazepan-3-yl]urea
CID 51961629
4-[(4-amino-3-methoxybutanoyl)amino]-2-chloro-N-propylbenzamide
CID 120590141
1-(4-chlorophenyl)-3-(2-oxoazepan-3-yl)urea
CID 2805571
3-[[3-chloro-4-(propylcarbamoyl)phenyl]carbamoyl-methylamino]propanoic acid
CID 122077547
2-chloro-4-[[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]carbamoylamino]-N-propylbenzamide
CID 124593965
N-[3-chloro-4-(propylcarbamoyl)phenyl]-3,4-diethoxybenzamide
CID 60576494

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[[(3R)-2-oxopyrrolidin-3-yl]carbamoylamino]-N-propylbenzamide?
The IUPAC name of 2-chloro-4-[[(3R)-2-oxopyrrolidin-3-yl]carbamoylamino]-N-propylbenzamide (CID 125169762) is 2-chloro-4-[[(3R)-2-oxopyrrolidin-3-yl]carbamoylamino]-N-propylbenzamide.
What is the SMILES notation for 2-chloro-4-[[(3R)-2-oxopyrrolidin-3-yl]carbamoylamino]-N-propylbenzamide?
The canonical SMILES for 2-chloro-4-[[(3R)-2-oxopyrrolidin-3-yl]carbamoylamino]-N-propylbenzamide is CCCNC(=O)c1ccc(NC(=O)N[C@@H]2CCNC2=O)cc1Cl.
What is the InChIKey of 2-chloro-4-[[(3R)-2-oxopyrrolidin-3-yl]carbamoylamino]-N-propylbenzamide?
The InChIKey is GSONYJQELJMQDC-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H19ClN4O3/c1-2-6-17-13(21)10-4-3-9(8-11(10)16)19-15(23)20-12-5-7-18-14(12)22/h3-4,8,12H,2,5-7H2,1H3,(H,17,21)(H,18,22)(H2,19,20,23)/t12-/m1/s1.
What are the key properties of 2-chloro-4-[[(3R)-2-oxopyrrolidin-3-yl]carbamoylamino]-N-propylbenzamide?
2-chloro-4-[[(3R)-2-oxopyrrolidin-3-yl]carbamoylamino]-N-propylbenzamide has a molecular weight of 338.80 g/mol, XLogP of 1.49, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[[(3R)-2-oxopyrrolidin-3-yl]carbamoylamino]-N-propylbenzamide is sourced from PubChem (CID 125169762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).