(3S)-3-(carbamoylamino)-N-[(1R)-1-(3,4-difluorophenyl)ethyl]-3-phenylpropanamide

C18H19F2N3O2 — CID 26082762

IUPAC(3S)-3-(carbamoylamino)-N-[(1R)-1-(3,4-difluorophenyl)ethyl]-3-phenylpropanamide
SMILESC[C@@H](NC(=O)C[C@H](NC(N)=O)c1ccccc1)c1ccc(F)c(F)c1
InChIInChI=1S/C18H19F2N3O2/c1-11(13-7-8-14(19)15(20)9-13)22-17(24)10-16(23-18(21)25)12-5-3-2-4-6-12/h2-9,11,16H,10H2,1H3,(H,22,24)(H3,21,23,25)/t11-,16+/m1/s1
InChIKeyQUTFRKLGKCVIST-BZNIZROVSA-N
MW347.37 g/mol
LogP2.94
Rot. Bonds6

About (3S)-3-(carbamoylamino)-N-[(1R)-1-(3,4-difluorophenyl)ethyl]-3-phenylpropanamide

(3S)-3-(carbamoylamino)-N-[(1R)-1-(3,4-difluorophenyl)ethyl]-3-phenylpropanamide (PubChem CID 26082762) has the molecular formula C18H19F2N3O2 and a molecular weight of 347.37 g/mol. Its IUPAC name is (3S)-3-(carbamoylamino)-N-[(1R)-1-(3,4-difluorophenyl)ethyl]-3-phenylpropanamide.

Molecular Properties

Compound Name(3S)-3-(carbamoylamino)-N-[(1R)-1-(3,4-difluorophenyl)ethyl]-3-phenylpropanamide
PubChem CID26082762
Molecular FormulaC18H19F2N3O2
Molecular Weight347.37 g/mol
Exact Mass347.14
IUPAC Name(3S)-3-(carbamoylamino)-N-[(1R)-1-(3,4-difluorophenyl)ethyl]-3-phenylpropanamide
SMILESC[C@@H](NC(=O)C[C@H](NC(N)=O)c1ccccc1)c1ccc(F)c(F)c1
InChIInChI=1S/C18H19F2N3O2/c1-11(13-7-8-14(19)15(20)9-13)22-17(24)10-16(23-18(21)25)12-5-3-2-4-6-12/h2-9,11,16H,10H2,1H3,(H,22,24)(H3,21,23,25)/t11-,16+/m1/s1
InChIKeyQUTFRKLGKCVIST-BZNIZROVSA-N
XLogP2.94
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3,4-difluorophenyl)ethyl]-3-phenylbutanamide
CID 43000604
N-[1-(3,4-difluorophenyl)ethyl]-3-methylbutanamide
CID 78778452
N-[1-(3,4-difluorophenyl)ethyl]-2-phenylacetamide
CID 112764194
(3R)-3-(carbamoylamino)-N-(2-fluoro-5-methylphenyl)-3-phenylpropanamide
CID 41172294
N-[1-(3,4-difluorophenyl)ethyl]-2-phenylsulfanylacetamide
CID 51150831
(3S)-3-acetamido-N-[(1S)-1-(4-chlorophenyl)ethyl]-3-phenylpropanamide
CID 8751486
(3S)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-(carbamoylamino)-3-phenylpropanamide
CID 26132466
(3S)-3-acetamido-N-[(1R)-1-(3-chlorophenyl)ethyl]-3-phenylpropanamide
CID 9164771
ethyl N-[(1S)-3-oxo-1-phenyl-3-[[(1S)-1-phenylethyl]amino]propyl]carbamate
CID 126003498
1-[1-(3,4-difluorophenyl)ethyl]-3-(4-hydroxy-1-phenylbutyl)urea
CID 111453817
N-[1-(3,4-difluorophenyl)ethyl]-2-(2-methylphenyl)acetamide
CID 51175691
N-[1-(3,4-difluorophenyl)ethyl]butanamide
CID 60630405

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(carbamoylamino)-N-[(1R)-1-(3,4-difluorophenyl)ethyl]-3-phenylpropanamide?
The IUPAC name of (3S)-3-(carbamoylamino)-N-[(1R)-1-(3,4-difluorophenyl)ethyl]-3-phenylpropanamide (CID 26082762) is (3S)-3-(carbamoylamino)-N-[(1R)-1-(3,4-difluorophenyl)ethyl]-3-phenylpropanamide.
What is the SMILES notation for (3S)-3-(carbamoylamino)-N-[(1R)-1-(3,4-difluorophenyl)ethyl]-3-phenylpropanamide?
The canonical SMILES for (3S)-3-(carbamoylamino)-N-[(1R)-1-(3,4-difluorophenyl)ethyl]-3-phenylpropanamide is C[C@@H](NC(=O)C[C@H](NC(N)=O)c1ccccc1)c1ccc(F)c(F)c1.
What is the InChIKey of (3S)-3-(carbamoylamino)-N-[(1R)-1-(3,4-difluorophenyl)ethyl]-3-phenylpropanamide?
The InChIKey is QUTFRKLGKCVIST-BZNIZROVSA-N. The full InChI is InChI=1S/C18H19F2N3O2/c1-11(13-7-8-14(19)15(20)9-13)22-17(24)10-16(23-18(21)25)12-5-3-2-4-6-12/h2-9,11,16H,10H2,1H3,(H,22,24)(H3,21,23,25)/t11-,16+/m1/s1.
What are the key properties of (3S)-3-(carbamoylamino)-N-[(1R)-1-(3,4-difluorophenyl)ethyl]-3-phenylpropanamide?
(3S)-3-(carbamoylamino)-N-[(1R)-1-(3,4-difluorophenyl)ethyl]-3-phenylpropanamide has a molecular weight of 347.37 g/mol, XLogP of 2.94, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(carbamoylamino)-N-[(1R)-1-(3,4-difluorophenyl)ethyl]-3-phenylpropanamide is sourced from PubChem (CID 26082762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).