N-[4-(carbamoylamino)phenyl]-2-(trifluoromethyl)benzamide

C15H12F3N3O2 — CID 46530485

IUPACN-[4-(carbamoylamino)phenyl]-2-(trifluoromethyl)benzamide
SMILESNC(=O)Nc1ccc(NC(=O)c2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C15H12F3N3O2/c16-15(17,18)12-4-2-1-3-11(12)13(22)20-9-5-7-10(8-6-9)21-14(19)23/h1-8H,(H,20,22)(H3,19,21,23)
InChIKeyYEHDYTTYOIQKSS-UHFFFAOYSA-N
MW323.27 g/mol
LogP3.45
Rot. Bonds3

About N-[4-(carbamoylamino)phenyl]-2-(trifluoromethyl)benzamide

N-[4-(carbamoylamino)phenyl]-2-(trifluoromethyl)benzamide (PubChem CID 46530485) has the molecular formula C15H12F3N3O2 and a molecular weight of 323.27 g/mol. Its IUPAC name is N-[4-(carbamoylamino)phenyl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[4-(carbamoylamino)phenyl]-2-(trifluoromethyl)benzamide
PubChem CID46530485
Molecular FormulaC15H12F3N3O2
Molecular Weight323.27 g/mol
Exact Mass323.09
IUPAC NameN-[4-(carbamoylamino)phenyl]-2-(trifluoromethyl)benzamide
SMILESNC(=O)Nc1ccc(NC(=O)c2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C15H12F3N3O2/c16-15(17,18)12-4-2-1-3-11(12)13(22)20-9-5-7-10(8-6-9)21-14(19)23/h1-8H,(H,20,22)(H3,19,21,23)
InChIKeyYEHDYTTYOIQKSS-UHFFFAOYSA-N
XLogP3.45
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.27
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-hydroxyphenyl)-2-(trifluoromethyl)benzamide
CID 28739363
[4-[[2-(trifluoromethyl)benzoyl]amino]phenyl]carbamic acid
CID 18543447
N-[4-(2,2,2-trifluoroethoxy)phenyl]-2-(trifluoromethyl)benzamide
CID 134010341
N-(3-aminophenyl)-2-(trifluoromethyl)benzamide
CID 16774950
N-(3-hydroxyphenyl)-2-(trifluoromethyl)benzamide
CID 1259866
N-(3-fluorophenyl)-2-(trifluoromethyl)benzamide
CID 139177364
N-[4-(carbamoylamino)phenyl]-2-iodobenzamide
CID 33152104
N-[4-(diethylcarbamoyl)phenyl]-2-(trifluoromethyl)benzamide
CID 4785724
N-(3-methylphenyl)-2-(trifluoromethyl)benzamide
CID 846758
N-(3,5-dichloro-4-hydroxyphenyl)-2-(trifluoromethyl)benzamide
CID 108808083
N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-2-(trifluoromethyl)benzamide
CID 35341141
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(trifluoromethyl)benzamide
CID 17444689

Frequently Asked Questions

What is the IUPAC name of N-[4-(carbamoylamino)phenyl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[4-(carbamoylamino)phenyl]-2-(trifluoromethyl)benzamide (CID 46530485) is N-[4-(carbamoylamino)phenyl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[4-(carbamoylamino)phenyl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[4-(carbamoylamino)phenyl]-2-(trifluoromethyl)benzamide is NC(=O)Nc1ccc(NC(=O)c2ccccc2C(F)(F)F)cc1.
What is the InChIKey of N-[4-(carbamoylamino)phenyl]-2-(trifluoromethyl)benzamide?
The InChIKey is YEHDYTTYOIQKSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N3O2/c16-15(17,18)12-4-2-1-3-11(12)13(22)20-9-5-7-10(8-6-9)21-14(19)23/h1-8H,(H,20,22)(H3,19,21,23).
What are the key properties of N-[4-(carbamoylamino)phenyl]-2-(trifluoromethyl)benzamide?
N-[4-(carbamoylamino)phenyl]-2-(trifluoromethyl)benzamide has a molecular weight of 323.27 g/mol, XLogP of 3.45, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(carbamoylamino)phenyl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 46530485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).