(2R)-N-ethyl-2-[(4-fluorophenyl)methylcarbamoylamino]propanamide

C13H18FN3O2 — CID 38214366

IUPAC(2R)-N-ethyl-2-[(4-fluorophenyl)methylcarbamoylamino]propanamide
SMILESCCNC(=O)[C@@H](C)NC(=O)NCc1ccc(F)cc1
InChIInChI=1S/C13H18FN3O2/c1-3-15-12(18)9(2)17-13(19)16-8-10-4-6-11(14)7-5-10/h4-7,9H,3,8H2,1-2H3,(H,15,18)(H2,16,17,19)/t9-/m1/s1
InChIKeyNHGFQFMNVGRBRC-SECBINFHSA-N
MW267.30 g/mol
LogP1.15
Rot. Bonds5

About (2R)-N-ethyl-2-[(4-fluorophenyl)methylcarbamoylamino]propanamide

(2R)-N-ethyl-2-[(4-fluorophenyl)methylcarbamoylamino]propanamide (PubChem CID 38214366) has the molecular formula C13H18FN3O2 and a molecular weight of 267.30 g/mol. Its IUPAC name is (2R)-N-ethyl-2-[(4-fluorophenyl)methylcarbamoylamino]propanamide.

Molecular Properties

Compound Name(2R)-N-ethyl-2-[(4-fluorophenyl)methylcarbamoylamino]propanamide
PubChem CID38214366
Molecular FormulaC13H18FN3O2
Molecular Weight267.30 g/mol
Exact Mass267.14
IUPAC Name(2R)-N-ethyl-2-[(4-fluorophenyl)methylcarbamoylamino]propanamide
SMILESCCNC(=O)[C@@H](C)NC(=O)NCc1ccc(F)cc1
InChIInChI=1S/C13H18FN3O2/c1-3-15-12(18)9(2)17-13(19)16-8-10-4-6-11(14)7-5-10/h4-7,9H,3,8H2,1-2H3,(H,15,18)(H2,16,17,19)/t9-/m1/s1
InChIKeyNHGFQFMNVGRBRC-SECBINFHSA-N
XLogP1.15
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 ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-ethyl-2-[2-(4-fluorophenyl)ethylcarbamoylamino]propanamide
CID 36505869
N-ethyl-2-[(2-fluorophenyl)methylcarbamoylamino]propanamide
CID 47134375
N-(2-fluoroethyl)-2-[(4-methylsulfanylphenyl)methylcarbamoylamino]propanamide
CID 119051485
N-[(2R)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 25474927
2-[(4-fluorophenyl)methylcarbamoylamino]-4-methylpentanoic acid
CID 3676816
(2R)-N-[(4-fluorophenyl)methyl]-2-methylbutanamide
CID 94606450
(2S)-2-[(2,4-difluorophenyl)carbamoylamino]-N-ethylpropanamide
CID 92541927
1-[(4-fluorophenyl)methyl]-3-[(2S)-4-(4-hydroxyphenyl)butan-2-yl]urea
CID 38204563
1-[(4-fluorophenyl)methyl]-3-(1-phenylethyl)urea
CID 51290878
(2R)-N-ethyl-3-(4-fluorophenyl)-2-methylpropanamide
CID 143947459
5-[(4-fluorophenyl)methylcarbamoylamino]hexanoic acid
CID 82846795
(2R)-N-[(2R)-butan-2-yl]-2-[[4-(trifluoromethyl)phenyl]methylcarbamoylamino]propanamide
CID 94806328

Frequently Asked Questions

What is the IUPAC name of (2R)-N-ethyl-2-[(4-fluorophenyl)methylcarbamoylamino]propanamide?
The IUPAC name of (2R)-N-ethyl-2-[(4-fluorophenyl)methylcarbamoylamino]propanamide (CID 38214366) is (2R)-N-ethyl-2-[(4-fluorophenyl)methylcarbamoylamino]propanamide.
What is the SMILES notation for (2R)-N-ethyl-2-[(4-fluorophenyl)methylcarbamoylamino]propanamide?
The canonical SMILES for (2R)-N-ethyl-2-[(4-fluorophenyl)methylcarbamoylamino]propanamide is CCNC(=O)[C@@H](C)NC(=O)NCc1ccc(F)cc1.
What is the InChIKey of (2R)-N-ethyl-2-[(4-fluorophenyl)methylcarbamoylamino]propanamide?
The InChIKey is NHGFQFMNVGRBRC-SECBINFHSA-N. The full InChI is InChI=1S/C13H18FN3O2/c1-3-15-12(18)9(2)17-13(19)16-8-10-4-6-11(14)7-5-10/h4-7,9H,3,8H2,1-2H3,(H,15,18)(H2,16,17,19)/t9-/m1/s1.
What are the key properties of (2R)-N-ethyl-2-[(4-fluorophenyl)methylcarbamoylamino]propanamide?
(2R)-N-ethyl-2-[(4-fluorophenyl)methylcarbamoylamino]propanamide has a molecular weight of 267.30 g/mol, XLogP of 1.15, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-ethyl-2-[(4-fluorophenyl)methylcarbamoylamino]propanamide is sourced from PubChem (CID 38214366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).