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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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).