N-[4-chloro-3-(trifluoromethyl)phenyl]-N-phenylmethoxybenzamide

C21H15ClF3NO2 — CID 142711619

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-N-phenylmethoxybenzamide
SMILESO=C(c1ccccc1)N(OCc1ccccc1)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C21H15ClF3NO2/c22-19-12-11-17(13-18(19)21(23,24)25)26(20(27)16-9-5-2-6-10-16)28-14-15-7-3-1-4-8-15/h1-13H,14H2
InChIKeyUJIDGLMQVXPLOU-UHFFFAOYSA-N
MW405.80 g/mol
LogP6.14
Rot. Bonds5

About N-[4-chloro-3-(trifluoromethyl)phenyl]-N-phenylmethoxybenzamide

N-[4-chloro-3-(trifluoromethyl)phenyl]-N-phenylmethoxybenzamide (PubChem CID 142711619) has the molecular formula C21H15ClF3NO2 and a molecular weight of 405.80 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-N-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-N-phenylmethoxybenzamide
PubChem CID142711619
Molecular FormulaC21H15ClF3NO2
Molecular Weight405.80 g/mol
Exact Mass405.07
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-N-phenylmethoxybenzamide
SMILESO=C(c1ccccc1)N(OCc1ccccc1)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C21H15ClF3NO2/c22-19-12-11-17(13-18(19)21(23,24)25)26(20(27)16-9-5-2-6-10-16)28-14-15-7-3-1-4-8-15/h1-13H,14H2
InChIKeyUJIDGLMQVXPLOU-UHFFFAOYSA-N
XLogP6.14
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.80
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[N-(benzenesulfonyl)-4-chloro-3-(trifluoromethyl)anilino]-N,N-dibenzylacetamide
CID 3130598
2-[4-chloro-N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-(2-phenylethyl)propanamide
CID 132674576
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-(dimethylamino)ethoxy]-N-methylbenzamide
CID 162589205
benzyl N-[4-[4-chloro-3-(trifluoromethyl)phenyl]but-3-ynyl]carbamate
CID 170463035
1-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-3-(4-phenylmethoxyphenyl)urea
CID 3668658
3-(3,4-dichlorophenyl)-1-phenyl-1-phenylmethoxyurea
CID 12589377
[4-chloro-3-(trifluoromethyl)anilino] benzoate
CID 174783175
[4-chloro-3-(trifluoromethyl)phenyl]-[[3-(2,6-dimethyl-3-pyridinyl)phenyl]methyl]carbamic acid
CID 67163453
N-benzyl-N'-[4-chloro-3-(trifluoromethyl)phenyl]propanediamide
CID 108945335
N',N'-dibenzyl-N-[4-chloro-2-(trifluoromethyl)phenyl]oxamide
CID 108523701
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-oxo-3-phenylpropanamide
CID 727661
2-[[2-[N-(benzenesulfonyl)-4-chloro-3-(trifluoromethyl)anilino]acetyl]amino]-N-benzylbenzamide
CID 126035791

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-N-phenylmethoxybenzamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-N-phenylmethoxybenzamide (CID 142711619) is N-[4-chloro-3-(trifluoromethyl)phenyl]-N-phenylmethoxybenzamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-N-phenylmethoxybenzamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-N-phenylmethoxybenzamide is O=C(c1ccccc1)N(OCc1ccccc1)c1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-N-phenylmethoxybenzamide?
The InChIKey is UJIDGLMQVXPLOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClF3NO2/c22-19-12-11-17(13-18(19)21(23,24)25)26(20(27)16-9-5-2-6-10-16)28-14-15-7-3-1-4-8-15/h1-13H,14H2.
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-N-phenylmethoxybenzamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-N-phenylmethoxybenzamide has a molecular weight of 405.80 g/mol, XLogP of 6.14, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-N-phenylmethoxybenzamide is sourced from PubChem (CID 142711619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).