N-[3-(carbamoylamino)phenyl]-3-fluoro-5-(trifluoromethyl)benzamide

C15H11F4N3O2 — CID 166822202

IUPACN-[3-(carbamoylamino)phenyl]-3-fluoro-5-(trifluoromethyl)benzamide
SMILESNC(=O)Nc1cccc(NC(=O)c2cc(F)cc(C(F)(F)F)c2)c1
InChIInChI=1S/C15H11F4N3O2/c16-10-5-8(4-9(6-10)15(17,18)19)13(23)21-11-2-1-3-12(7-11)22-14(20)24/h1-7H,(H,21,23)(H3,20,22,24)
InChIKeyASSXMAZVHRWDES-UHFFFAOYSA-N
MW341.26 g/mol
LogP3.59
Rot. Bonds3

About N-[3-(carbamoylamino)phenyl]-3-fluoro-5-(trifluoromethyl)benzamide

N-[3-(carbamoylamino)phenyl]-3-fluoro-5-(trifluoromethyl)benzamide (PubChem CID 166822202) has the molecular formula C15H11F4N3O2 and a molecular weight of 341.26 g/mol. Its IUPAC name is N-[3-(carbamoylamino)phenyl]-3-fluoro-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[3-(carbamoylamino)phenyl]-3-fluoro-5-(trifluoromethyl)benzamide
PubChem CID166822202
Molecular FormulaC15H11F4N3O2
Molecular Weight341.26 g/mol
Exact Mass341.08
IUPAC NameN-[3-(carbamoylamino)phenyl]-3-fluoro-5-(trifluoromethyl)benzamide
SMILESNC(=O)Nc1cccc(NC(=O)c2cc(F)cc(C(F)(F)F)c2)c1
InChIInChI=1S/C15H11F4N3O2/c16-10-5-8(4-9(6-10)15(17,18)19)13(23)21-11-2-1-3-12(7-11)22-14(20)24/h1-7H,(H,21,23)(H3,20,22,24)
InChIKeyASSXMAZVHRWDES-UHFFFAOYSA-N
XLogP3.59
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.26
LogP ≤ 53.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-carbamoylphenyl)-3,5-bis(trifluoromethyl)benzamide
CID 1013270
3-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzene-1,3-dicarboxamide
CID 46577065
3-(carbamoylamino)-N-(4-fluorophenyl)benzamide
CID 8744972
3-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]-5-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]benzamide
CID 44547277
3-fluoro-N-(4-fluoro-3-nitrophenyl)-5-(trifluoromethyl)benzamide
CID 67040567
N-(3-ethynyl-4-methylphenyl)-3-fluoro-5-(trifluoromethyl)benzamide
CID 122419174
2-N-[3-(trifluoromethyl)phenyl]naphthalene-2,7-dicarboxamide
CID 68648982
N-(5-amino-2-fluorophenyl)-3-fluoro-5-(trifluoromethyl)benzamide
CID 137353811
N-(3-bromophenyl)-3,5-difluorobenzamide
CID 3660841
N-(3-formamidophenyl)-3-(trifluoromethyl)benzamide
CID 86646005
2,6-difluoro-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 26289494
N-(5-benzamido-6-chloro-3-pyridinyl)-3-fluoro-5-(trifluoromethyl)benzamide
CID 174537026

Frequently Asked Questions

What is the IUPAC name of N-[3-(carbamoylamino)phenyl]-3-fluoro-5-(trifluoromethyl)benzamide?
The IUPAC name of N-[3-(carbamoylamino)phenyl]-3-fluoro-5-(trifluoromethyl)benzamide (CID 166822202) is N-[3-(carbamoylamino)phenyl]-3-fluoro-5-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[3-(carbamoylamino)phenyl]-3-fluoro-5-(trifluoromethyl)benzamide?
The canonical SMILES for N-[3-(carbamoylamino)phenyl]-3-fluoro-5-(trifluoromethyl)benzamide is NC(=O)Nc1cccc(NC(=O)c2cc(F)cc(C(F)(F)F)c2)c1.
What is the InChIKey of N-[3-(carbamoylamino)phenyl]-3-fluoro-5-(trifluoromethyl)benzamide?
The InChIKey is ASSXMAZVHRWDES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F4N3O2/c16-10-5-8(4-9(6-10)15(17,18)19)13(23)21-11-2-1-3-12(7-11)22-14(20)24/h1-7H,(H,21,23)(H3,20,22,24).
What are the key properties of N-[3-(carbamoylamino)phenyl]-3-fluoro-5-(trifluoromethyl)benzamide?
N-[3-(carbamoylamino)phenyl]-3-fluoro-5-(trifluoromethyl)benzamide has a molecular weight of 341.26 g/mol, XLogP of 3.59, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(carbamoylamino)phenyl]-3-fluoro-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 166822202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).