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

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Related Compounds

2-chloro-4-[[(3R,4R)-3-hydroxypiperidin-4-yl]carbamoylamino]-N-propylbenzamide
CID 74235033
5-(tert-butylcarbamoylamino)-2-chloro-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119534483
1-(3-chloro-4-methylphenyl)-3-piperidin-3-ylurea
CID 63321445
2-chloro-4-[[(3R)-2-oxopyrrolidin-3-yl]carbamoylamino]-N-propylbenzamide
CID 125169762
2-chloro-N-cyclohexyl-5-(cyclohexylcarbamoylamino)benzamide
CID 17188470
2,5-dichloro-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79689600
2-chloro-5-(3-methylbutanoylamino)-N-piperidin-4-ylbenzamide
CID 119386824
2-chloro-5-(3,3-dimethylbutanoylamino)-N-piperidin-4-ylbenzamide;hydrochloride
CID 119390511
1-(azepan-4-yl)-3-(3,4-dichlorophenyl)urea
CID 107172624
5-[(2-amino-2-methylpentanoyl)amino]-2-chloro-N-cyclopropylbenzamide;hydrochloride
CID 119713294
2-chloro-N-[2-(diethylamino)ethyl]-5-[(1-pyridin-2-ylpyrrolidin-3-yl)carbamoylamino]benzamide
CID 167919861
2-chloro-N-cyclopentyl-5-(propanoylamino)benzamide
CID 50875940

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).