(3R)-3-(carbamoylamino)-3-(4-chlorophenyl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylpropanamide

C19H20ClFN4O3 — CID 9441398

IUPAC(3R)-3-(carbamoylamino)-3-(4-chlorophenyl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylpropanamide
SMILESCN(CC(=O)Nc1ccc(F)cc1)C(=O)C[C@@H](NC(N)=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H20ClFN4O3/c1-25(11-17(26)23-15-8-6-14(21)7-9-15)18(27)10-16(24-19(22)28)12-2-4-13(20)5-3-12/h2-9,16H,10-11H2,1H3,(H,23,26)(H3,22,24,28)/t16-/m1/s1
InChIKeyWFRQKZUHWVCAJK-MRXNPFEDSA-N
MW406.85 g/mol
LogP2.68
Rot. Bonds7

About (3R)-3-(carbamoylamino)-3-(4-chlorophenyl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylpropanamide

(3R)-3-(carbamoylamino)-3-(4-chlorophenyl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylpropanamide (PubChem CID 9441398) has the molecular formula C19H20ClFN4O3 and a molecular weight of 406.85 g/mol. Its IUPAC name is (3R)-3-(carbamoylamino)-3-(4-chlorophenyl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylpropanamide.

Molecular Properties

Compound Name(3R)-3-(carbamoylamino)-3-(4-chlorophenyl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylpropanamide
PubChem CID9441398
Molecular FormulaC19H20ClFN4O3
Molecular Weight406.85 g/mol
Exact Mass406.12
IUPAC Name(3R)-3-(carbamoylamino)-3-(4-chlorophenyl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylpropanamide
SMILESCN(CC(=O)Nc1ccc(F)cc1)C(=O)C[C@@H](NC(N)=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H20ClFN4O3/c1-25(11-17(26)23-15-8-6-14(21)7-9-15)18(27)10-16(24-19(22)28)12-2-4-13(20)5-3-12/h2-9,16H,10-11H2,1H3,(H,23,26)(H3,22,24,28)/t16-/m1/s1
InChIKeyWFRQKZUHWVCAJK-MRXNPFEDSA-N
XLogP2.68
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.85
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-(carbamoylamino)-3-(4-chlorophenyl)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylpropanamide
CID 9480001
2-(4-chlorophenyl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylacetamide
CID 8503168
3-(carbamoylamino)-3-(4-chlorophenyl)-N-(3,5-dimethylphenyl)propanamide
CID 4792198
(3R)-3-(carbamoylamino)-3-(4-chlorophenyl)-N-(1-methylpyrazol-4-yl)propanamide
CID 32603960
3-(carbamoylamino)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylpropanamide
CID 9426932
3-(carbamoylamino)-3-(4-chlorophenyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide
CID 4869879
N-(4-fluorophenyl)-2-[[2-(2-fluorophenyl)sulfanylacetyl]-methylamino]acetamide
CID 16520353
(3R)-3-(carbamoylamino)-3-(4-fluorophenyl)propanoic acid
CID 135070527
(3S)-3-(carbamoylamino)-3-(4-chlorophenyl)propanoic acid
CID 2424184
3-(carbamoylamino)-3-(4-chlorophenyl)-N-propylpropanamide
CID 42971295
3-acetamido-3-(4-chlorophenyl)-N-(3,5-difluorophenyl)propanamide
CID 51271181
2-chloro-N-[3-[[2-(3-chloroanilino)-2-oxoethyl]-methylamino]-3-oxo-1-phenylpropyl]benzamide
CID 55653915

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(carbamoylamino)-3-(4-chlorophenyl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylpropanamide?
The IUPAC name of (3R)-3-(carbamoylamino)-3-(4-chlorophenyl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylpropanamide (CID 9441398) is (3R)-3-(carbamoylamino)-3-(4-chlorophenyl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylpropanamide.
What is the SMILES notation for (3R)-3-(carbamoylamino)-3-(4-chlorophenyl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylpropanamide?
The canonical SMILES for (3R)-3-(carbamoylamino)-3-(4-chlorophenyl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylpropanamide is CN(CC(=O)Nc1ccc(F)cc1)C(=O)C[C@@H](NC(N)=O)c1ccc(Cl)cc1.
What is the InChIKey of (3R)-3-(carbamoylamino)-3-(4-chlorophenyl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylpropanamide?
The InChIKey is WFRQKZUHWVCAJK-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H20ClFN4O3/c1-25(11-17(26)23-15-8-6-14(21)7-9-15)18(27)10-16(24-19(22)28)12-2-4-13(20)5-3-12/h2-9,16H,10-11H2,1H3,(H,23,26)(H3,22,24,28)/t16-/m1/s1.
What are the key properties of (3R)-3-(carbamoylamino)-3-(4-chlorophenyl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylpropanamide?
(3R)-3-(carbamoylamino)-3-(4-chlorophenyl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylpropanamide has a molecular weight of 406.85 g/mol, XLogP of 2.68, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(carbamoylamino)-3-(4-chlorophenyl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylpropanamide is sourced from PubChem (CID 9441398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).