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

C13H18FN3O2 — CID 94185477

IUPAC(2R)-2-[(2-fluorophenyl)carbamoylamino]-N-propylpropanamide
SMILESCCCNC(=O)[C@@H](C)NC(=O)Nc1ccccc1F
InChIInChI=1S/C13H18FN3O2/c1-3-8-15-12(18)9(2)16-13(19)17-11-7-5-4-6-10(11)14/h4-7,9H,3,8H2,1-2H3,(H,15,18)(H2,16,17,19)/t9-/m1/s1
InChIKeyGXFIPRDNRZPTLZ-SECBINFHSA-N
MW267.30 g/mol
LogP1.86
Rot. Bonds5

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

(2R)-2-[(2-fluorophenyl)carbamoylamino]-N-propylpropanamide (PubChem CID 94185477) has the molecular formula C13H18FN3O2 and a molecular weight of 267.30 g/mol. Its IUPAC name is (2R)-2-[(2-fluorophenyl)carbamoylamino]-N-propylpropanamide.

Molecular Properties

Compound Name(2R)-2-[(2-fluorophenyl)carbamoylamino]-N-propylpropanamide
PubChem CID94185477
Molecular FormulaC13H18FN3O2
Molecular Weight267.30 g/mol
Exact Mass267.14
IUPAC Name(2R)-2-[(2-fluorophenyl)carbamoylamino]-N-propylpropanamide
SMILESCCCNC(=O)[C@@H](C)NC(=O)Nc1ccccc1F
InChIInChI=1S/C13H18FN3O2/c1-3-8-15-12(18)9(2)16-13(19)17-11-7-5-4-6-10(11)14/h4-7,9H,3,8H2,1-2H3,(H,15,18)(H2,16,17,19)/t9-/m1/s1
InChIKeyGXFIPRDNRZPTLZ-SECBINFHSA-N
XLogP1.86
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-N-propylpropanamide
CID 60695769
1-[(2R)-butan-2-yl]-3-(2-fluorophenyl)urea
CID 727758
(2R)-2-[(2-chloro-4-fluorophenyl)carbamoylamino]-N-propylpropanamide
CID 51981491
2-[(4-chlorophenyl)carbamoylamino]-N-(2-fluorophenyl)propanamide
CID 110407940
2-(2-fluoroanilino)-N-pentylpropanamide
CID 43113406
2-[(2,5-dimethylphenyl)carbamoylamino]-N-propylpropanamide
CID 47133143
(2S)-2-[(2-bromo-4-methylphenyl)carbamoylamino]-N-propylpropanamide
CID 51928325
(2S)-2-[[3-chloro-2-(dimethylamino)phenyl]carbamoylamino]-N-propylpropanamide
CID 94194163
(2S)-2-[(2,4-difluorophenyl)carbamoylamino]-N-ethylpropanamide
CID 92541927
1-(2-fluorophenyl)-3-[(1S)-1-phenylethyl]urea
CID 6995379
N-(2-fluorophenyl)-2,2-dimethyl-N'-propylpropanediamide
CID 108957085
1-(1-aminobutan-2-yl)-3-(2-fluorophenyl)urea
CID 63767489

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-fluorophenyl)carbamoylamino]-N-propylpropanamide?
The IUPAC name of (2R)-2-[(2-fluorophenyl)carbamoylamino]-N-propylpropanamide (CID 94185477) is (2R)-2-[(2-fluorophenyl)carbamoylamino]-N-propylpropanamide.
What is the SMILES notation for (2R)-2-[(2-fluorophenyl)carbamoylamino]-N-propylpropanamide?
The canonical SMILES for (2R)-2-[(2-fluorophenyl)carbamoylamino]-N-propylpropanamide is CCCNC(=O)[C@@H](C)NC(=O)Nc1ccccc1F.
What is the InChIKey of (2R)-2-[(2-fluorophenyl)carbamoylamino]-N-propylpropanamide?
The InChIKey is GXFIPRDNRZPTLZ-SECBINFHSA-N. The full InChI is InChI=1S/C13H18FN3O2/c1-3-8-15-12(18)9(2)16-13(19)17-11-7-5-4-6-10(11)14/h4-7,9H,3,8H2,1-2H3,(H,15,18)(H2,16,17,19)/t9-/m1/s1.
What are the key properties of (2R)-2-[(2-fluorophenyl)carbamoylamino]-N-propylpropanamide?
(2R)-2-[(2-fluorophenyl)carbamoylamino]-N-propylpropanamide has a molecular weight of 267.30 g/mol, XLogP of 1.86, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-fluorophenyl)carbamoylamino]-N-propylpropanamide is sourced from PubChem (CID 94185477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).