N-cyclopropyl-2-[(2,4-difluorophenyl)carbamoylamino]-3-phenylpropanamide

C19H19F2N3O2 — CID 47093309

IUPACN-cyclopropyl-2-[(2,4-difluorophenyl)carbamoylamino]-3-phenylpropanamide
SMILESO=C(Nc1ccc(F)cc1F)NC(Cc1ccccc1)C(=O)NC1CC1
InChIInChI=1S/C19H19F2N3O2/c20-13-6-9-16(15(21)11-13)23-19(26)24-17(18(25)22-14-7-8-14)10-12-4-2-1-3-5-12/h1-6,9,11,14,17H,7-8,10H2,(H,22,25)(H2,23,24,26)
InChIKeyUFAGCNWWVIYAQY-UHFFFAOYSA-N
MW359.38 g/mol
LogP2.98
Rot. Bonds6

About N-cyclopropyl-2-[(2,4-difluorophenyl)carbamoylamino]-3-phenylpropanamide

N-cyclopropyl-2-[(2,4-difluorophenyl)carbamoylamino]-3-phenylpropanamide (PubChem CID 47093309) has the molecular formula C19H19F2N3O2 and a molecular weight of 359.38 g/mol. Its IUPAC name is N-cyclopropyl-2-[(2,4-difluorophenyl)carbamoylamino]-3-phenylpropanamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[(2,4-difluorophenyl)carbamoylamino]-3-phenylpropanamide
PubChem CID47093309
Molecular FormulaC19H19F2N3O2
Molecular Weight359.38 g/mol
Exact Mass359.14
IUPAC NameN-cyclopropyl-2-[(2,4-difluorophenyl)carbamoylamino]-3-phenylpropanamide
SMILESO=C(Nc1ccc(F)cc1F)NC(Cc1ccccc1)C(=O)NC1CC1
InChIInChI=1S/C19H19F2N3O2/c20-13-6-9-16(15(21)11-13)23-19(26)24-17(18(25)22-14-7-8-14)10-12-4-2-1-3-5-12/h1-6,9,11,14,17H,7-8,10H2,(H,22,25)(H2,23,24,26)
InChIKeyUFAGCNWWVIYAQY-UHFFFAOYSA-N
XLogP2.98
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-(carbamoylamino)-N-(2,4-difluorophenyl)-3-phenylpropanamide
CID 18160928
(2S)-N-cyclopropyl-2-(naphthalen-1-ylcarbamoylamino)-3-phenylpropanamide
CID 52506751
2-[(3-chlorophenyl)carbamoylamino]-N-cyclopropyl-3-phenylpropanamide
CID 47093307
(2R)-N-cyclopropyl-3-phenyl-2-(pyridin-4-ylcarbamoylamino)propanamide
CID 94798428
1-(1-benzylpiperidin-4-yl)-3-(2,4-difluorophenyl)urea
CID 972217
tert-butyl N-[(2S)-1-(2,4-difluoroanilino)-1-oxo-3-phenylpropan-2-yl]carbamate
CID 31924078
2-amino-N-(2,4-difluorophenyl)-3-phenylpropanamide
CID 24708745
(2R)-N-cyclopropyl-2-[(3-ethynylphenyl)carbamoylamino]-3-phenylpropanamide
CID 95342005
4-[2-[(2,4-difluorophenyl)carbamoylamino]-3-phenylpropanoyl]-2-methyl-N-propan-2-ylpiperazine-1-carboxamide
CID 42707537
2-[(4-bromo-2-fluorophenyl)carbamoylamino]-N-(2-hydroxyethyl)-3-phenylpropanamide
CID 78098636
1-[(1R,5S)-8-benzyl-8-azoniabicyclo[3.2.1]octan-3-yl]-3-(2,4-difluorophenyl)urea
CID 11902223
1-[(1R,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]-3-(2,4-difluorophenyl)urea
CID 7402590

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[(2,4-difluorophenyl)carbamoylamino]-3-phenylpropanamide?
The IUPAC name of N-cyclopropyl-2-[(2,4-difluorophenyl)carbamoylamino]-3-phenylpropanamide (CID 47093309) is N-cyclopropyl-2-[(2,4-difluorophenyl)carbamoylamino]-3-phenylpropanamide.
What is the SMILES notation for N-cyclopropyl-2-[(2,4-difluorophenyl)carbamoylamino]-3-phenylpropanamide?
The canonical SMILES for N-cyclopropyl-2-[(2,4-difluorophenyl)carbamoylamino]-3-phenylpropanamide is O=C(Nc1ccc(F)cc1F)NC(Cc1ccccc1)C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[(2,4-difluorophenyl)carbamoylamino]-3-phenylpropanamide?
The InChIKey is UFAGCNWWVIYAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N3O2/c20-13-6-9-16(15(21)11-13)23-19(26)24-17(18(25)22-14-7-8-14)10-12-4-2-1-3-5-12/h1-6,9,11,14,17H,7-8,10H2,(H,22,25)(H2,23,24,26).
What are the key properties of N-cyclopropyl-2-[(2,4-difluorophenyl)carbamoylamino]-3-phenylpropanamide?
N-cyclopropyl-2-[(2,4-difluorophenyl)carbamoylamino]-3-phenylpropanamide has a molecular weight of 359.38 g/mol, XLogP of 2.98, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[(2,4-difluorophenyl)carbamoylamino]-3-phenylpropanamide is sourced from PubChem (CID 47093309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).