(2R)-2-[(2-chloro-4-fluorophenyl)carbamoylamino]-N-propylpropanamide

C13H17ClFN3O2 — CID 51981491

IUPAC(2R)-2-[(2-chloro-4-fluorophenyl)carbamoylamino]-N-propylpropanamide
SMILESCCCNC(=O)[C@@H](C)NC(=O)Nc1ccc(F)cc1Cl
InChIInChI=1S/C13H17ClFN3O2/c1-3-6-16-12(19)8(2)17-13(20)18-11-5-4-9(15)7-10(11)14/h4-5,7-8H,3,6H2,1-2H3,(H,16,19)(H2,17,18,20)/t8-/m1/s1
InChIKeyWMBSBZHLFOXWQK-MRVPVSSYSA-N
MW301.75 g/mol
LogP2.52
Rot. Bonds5

About (2R)-2-[(2-chloro-4-fluorophenyl)carbamoylamino]-N-propylpropanamide

(2R)-2-[(2-chloro-4-fluorophenyl)carbamoylamino]-N-propylpropanamide (PubChem CID 51981491) has the molecular formula C13H17ClFN3O2 and a molecular weight of 301.75 g/mol. Its IUPAC name is (2R)-2-[(2-chloro-4-fluorophenyl)carbamoylamino]-N-propylpropanamide.

Molecular Properties

Compound Name(2R)-2-[(2-chloro-4-fluorophenyl)carbamoylamino]-N-propylpropanamide
PubChem CID51981491
Molecular FormulaC13H17ClFN3O2
Molecular Weight301.75 g/mol
Exact Mass301.10
IUPAC Name(2R)-2-[(2-chloro-4-fluorophenyl)carbamoylamino]-N-propylpropanamide
SMILESCCCNC(=O)[C@@H](C)NC(=O)Nc1ccc(F)cc1Cl
InChIInChI=1S/C13H17ClFN3O2/c1-3-6-16-12(19)8(2)17-13(20)18-11-5-4-9(15)7-10(11)14/h4-5,7-8H,3,6H2,1-2H3,(H,16,19)(H2,17,18,20)/t8-/m1/s1
InChIKeyWMBSBZHLFOXWQK-MRVPVSSYSA-N
XLogP2.52
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.75
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[(2,4-difluorophenyl)carbamoylamino]-N-ethylpropanamide
CID 92541927
1-(2-chloro-4-fluorophenyl)-3-(4-hydroxy-3-methylbutan-2-yl)urea
CID 111452646
(2R)-2-[(2-fluorophenyl)carbamoylamino]-N-propylpropanamide
CID 94185477
2-[(3-chloro-4-methylphenyl)carbamoylamino]-N-propylpropanamide
CID 47112271
(2S)-2-chloro-N-(2-chloro-4-fluorophenyl)propanamide
CID 2369653
2-[(2,5-dimethylphenyl)carbamoylamino]-N-propylpropanamide
CID 47133143
(2S)-2-[(2-bromo-4-methylphenyl)carbamoylamino]-N-propylpropanamide
CID 51928325
(2S)-2-[(5-chloro-2-methoxyphenyl)carbamoylamino]-N-propylpropanamide
CID 51928333
(2S)-2-[[3-chloro-2-(dimethylamino)phenyl]carbamoylamino]-N-propylpropanamide
CID 94194163
2,4-difluoro-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 8733040
1-(2-chloro-4-fluorophenyl)-3-(2-hydroxy-4-methylpentyl)urea
CID 111431023
2-[(2-chloro-4-fluorophenyl)carbamoylamino]-3-methoxypropanoic acid
CID 81084747

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-chloro-4-fluorophenyl)carbamoylamino]-N-propylpropanamide?
The IUPAC name of (2R)-2-[(2-chloro-4-fluorophenyl)carbamoylamino]-N-propylpropanamide (CID 51981491) is (2R)-2-[(2-chloro-4-fluorophenyl)carbamoylamino]-N-propylpropanamide.
What is the SMILES notation for (2R)-2-[(2-chloro-4-fluorophenyl)carbamoylamino]-N-propylpropanamide?
The canonical SMILES for (2R)-2-[(2-chloro-4-fluorophenyl)carbamoylamino]-N-propylpropanamide is CCCNC(=O)[C@@H](C)NC(=O)Nc1ccc(F)cc1Cl.
What is the InChIKey of (2R)-2-[(2-chloro-4-fluorophenyl)carbamoylamino]-N-propylpropanamide?
The InChIKey is WMBSBZHLFOXWQK-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H17ClFN3O2/c1-3-6-16-12(19)8(2)17-13(20)18-11-5-4-9(15)7-10(11)14/h4-5,7-8H,3,6H2,1-2H3,(H,16,19)(H2,17,18,20)/t8-/m1/s1.
What are the key properties of (2R)-2-[(2-chloro-4-fluorophenyl)carbamoylamino]-N-propylpropanamide?
(2R)-2-[(2-chloro-4-fluorophenyl)carbamoylamino]-N-propylpropanamide has a molecular weight of 301.75 g/mol, XLogP of 2.52, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-chloro-4-fluorophenyl)carbamoylamino]-N-propylpropanamide is sourced from PubChem (CID 51981491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).