3-(carbamoylamino)-3-(4-chlorophenyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide

C17H14Cl2F3N3O2 — CID 4869879

IUPAC3-(carbamoylamino)-3-(4-chlorophenyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide
SMILESNC(=O)NC(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(Cl)cc1
InChIInChI=1S/C17H14Cl2F3N3O2/c18-10-3-1-9(2-4-10)14(25-16(23)27)8-15(26)24-11-5-6-13(19)12(7-11)17(20,21)22/h1-7,14H,8H2,(H,24,26)(H3,23,25,27)
InChIKeyBFNTVBXIWJFRQH-UHFFFAOYSA-N
MW420.22 g/mol
LogP4.75
Rot. Bonds5

About 3-(carbamoylamino)-3-(4-chlorophenyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide

3-(carbamoylamino)-3-(4-chlorophenyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide (PubChem CID 4869879) has the molecular formula C17H14Cl2F3N3O2 and a molecular weight of 420.22 g/mol. Its IUPAC name is 3-(carbamoylamino)-3-(4-chlorophenyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(carbamoylamino)-3-(4-chlorophenyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide
PubChem CID4869879
Molecular FormulaC17H14Cl2F3N3O2
Molecular Weight420.22 g/mol
Exact Mass419.04
IUPAC Name3-(carbamoylamino)-3-(4-chlorophenyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide
SMILESNC(=O)NC(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(Cl)cc1
InChIInChI=1S/C17H14Cl2F3N3O2/c18-10-3-1-9(2-4-10)14(25-16(23)27)8-15(26)24-11-5-6-13(19)12(7-11)17(20,21)22/h1-7,14H,8H2,(H,24,26)(H3,23,25,27)
InChIKeyBFNTVBXIWJFRQH-UHFFFAOYSA-N
XLogP4.75
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.22
LogP ≤ 54.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-(carbamoylamino)-3-(4-chlorophenyl)-N-(3,5-dimethylphenyl)propanamide
CID 4792198
3-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]-3-sulfanylidenepropanamide
CID 43132915
2-[(4-chlorophenyl)sulfonylamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 126151161
(3S)-3-(carbamoylamino)-3-(4-chlorophenyl)propanoic acid
CID 2424184
[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 7750405
(3R)-3-(carbamoylamino)-3-(4-chlorophenyl)-N-(1-methylpyrazol-4-yl)propanamide
CID 32603960
2-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide;ethane
CID 142867328
(3R)-3-(4-bromophenyl)-3-(carbamoylamino)-N-(3-fluoro-4-methylphenyl)propanamide
CID 51727191
(3R)-3-(carbamoylamino)-3-(4-chlorophenyl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylpropanamide
CID 9441398
N-[4-chloro-3-(trifluoromethyl)phenyl]-3,3-dimethylbutanamide
CID 803107
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] (3S)-3-(carbamoylamino)-3-(4-chlorophenyl)propanoate
CID 2124112
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypentanamide
CID 79017846

Frequently Asked Questions

What is the IUPAC name of 3-(carbamoylamino)-3-(4-chlorophenyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 3-(carbamoylamino)-3-(4-chlorophenyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide (CID 4869879) is 3-(carbamoylamino)-3-(4-chlorophenyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 3-(carbamoylamino)-3-(4-chlorophenyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 3-(carbamoylamino)-3-(4-chlorophenyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide is NC(=O)NC(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(Cl)cc1.
What is the InChIKey of 3-(carbamoylamino)-3-(4-chlorophenyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide?
The InChIKey is BFNTVBXIWJFRQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2F3N3O2/c18-10-3-1-9(2-4-10)14(25-16(23)27)8-15(26)24-11-5-6-13(19)12(7-11)17(20,21)22/h1-7,14H,8H2,(H,24,26)(H3,23,25,27).
What are the key properties of 3-(carbamoylamino)-3-(4-chlorophenyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide?
3-(carbamoylamino)-3-(4-chlorophenyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide has a molecular weight of 420.22 g/mol, XLogP of 4.75, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(carbamoylamino)-3-(4-chlorophenyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 4869879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).