2-chloro-N-propyl-5-[[(3R)-pyrrolidin-3-yl]carbamoylamino]benzamide

C15H21ClN4O2 — CID 74238360

IUPAC2-chloro-N-propyl-5-[[(3R)-pyrrolidin-3-yl]carbamoylamino]benzamide
SMILESCCCNC(=O)c1cc(NC(=O)N[C@@H]2CCNC2)ccc1Cl
InChIInChI=1S/C15H21ClN4O2/c1-2-6-18-14(21)12-8-10(3-4-13(12)16)19-15(22)20-11-5-7-17-9-11/h3-4,8,11,17H,2,5-7,9H2,1H3,(H,18,21)(H2,19,20,22)/t11-/m1/s1
InChIKeyORBFAXMQFTYQIZ-LLVKDONJSA-N
MW324.81 g/mol
LogP1.96
Rot. Bonds5

About 2-chloro-N-propyl-5-[[(3R)-pyrrolidin-3-yl]carbamoylamino]benzamide

2-chloro-N-propyl-5-[[(3R)-pyrrolidin-3-yl]carbamoylamino]benzamide (PubChem CID 74238360) has the molecular formula C15H21ClN4O2 and a molecular weight of 324.81 g/mol. Its IUPAC name is 2-chloro-N-propyl-5-[[(3R)-pyrrolidin-3-yl]carbamoylamino]benzamide.

Molecular Properties

Compound Name2-chloro-N-propyl-5-[[(3R)-pyrrolidin-3-yl]carbamoylamino]benzamide
PubChem CID74238360
Molecular FormulaC15H21ClN4O2
Molecular Weight324.81 g/mol
Exact Mass324.14
IUPAC Name2-chloro-N-propyl-5-[[(3R)-pyrrolidin-3-yl]carbamoylamino]benzamide
SMILESCCCNC(=O)c1cc(NC(=O)N[C@@H]2CCNC2)ccc1Cl
InChIInChI=1S/C15H21ClN4O2/c1-2-6-18-14(21)12-8-10(3-4-13(12)16)19-15(22)20-11-5-7-17-9-11/h3-4,8,11,17H,2,5-7,9H2,1H3,(H,18,21)(H2,19,20,22)/t11-/m1/s1
InChIKeyORBFAXMQFTYQIZ-LLVKDONJSA-N
XLogP1.96
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 51.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze 2-chloro-N-propyl-5-[[(3R)-pyrrolidin-3-yl]carbamoylamino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-propyl-5-[[(3R)-pyrrolidin-3-yl]carbamoylamino]benzamide?
The IUPAC name of 2-chloro-N-propyl-5-[[(3R)-pyrrolidin-3-yl]carbamoylamino]benzamide (CID 74238360) is 2-chloro-N-propyl-5-[[(3R)-pyrrolidin-3-yl]carbamoylamino]benzamide.
What is the SMILES notation for 2-chloro-N-propyl-5-[[(3R)-pyrrolidin-3-yl]carbamoylamino]benzamide?
The canonical SMILES for 2-chloro-N-propyl-5-[[(3R)-pyrrolidin-3-yl]carbamoylamino]benzamide is CCCNC(=O)c1cc(NC(=O)N[C@@H]2CCNC2)ccc1Cl.
What is the InChIKey of 2-chloro-N-propyl-5-[[(3R)-pyrrolidin-3-yl]carbamoylamino]benzamide?
The InChIKey is ORBFAXMQFTYQIZ-LLVKDONJSA-N. The full InChI is InChI=1S/C15H21ClN4O2/c1-2-6-18-14(21)12-8-10(3-4-13(12)16)19-15(22)20-11-5-7-17-9-11/h3-4,8,11,17H,2,5-7,9H2,1H3,(H,18,21)(H2,19,20,22)/t11-/m1/s1.
What are the key properties of 2-chloro-N-propyl-5-[[(3R)-pyrrolidin-3-yl]carbamoylamino]benzamide?
2-chloro-N-propyl-5-[[(3R)-pyrrolidin-3-yl]carbamoylamino]benzamide has a molecular weight of 324.81 g/mol, XLogP of 1.96, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-propyl-5-[[(3R)-pyrrolidin-3-yl]carbamoylamino]benzamide is sourced from PubChem (CID 74238360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).