N-(3-chloro-2-methylphenyl)-4-[1-[2-chloro-5-(trifluoromethyl)anilino]-1-oxopropan-2-yl]oxybenzamide

C24H19Cl2F3N2O3 — CID 4055440

IUPACN-(3-chloro-2-methylphenyl)-4-[1-[2-chloro-5-(trifluoromethyl)anilino]-1-oxopropan-2-yl]oxybenzamide
SMILESCc1c(Cl)cccc1NC(=O)c1ccc(OC(C)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1
InChIInChI=1S/C24H19Cl2F3N2O3/c1-13-18(25)4-3-5-20(13)30-23(33)15-6-9-17(10-7-15)34-14(2)22(32)31-21-12-16(24(27,28)29)8-11-19(21)26/h3-12,14H,1-2H3,(H,30,33)(H,31,32)
InChIKeyRKSHKIYEGJARDW-UHFFFAOYSA-N
MW511.33 g/mol
LogP6.98
Rot. Bonds6

About N-(3-chloro-2-methylphenyl)-4-[1-[2-chloro-5-(trifluoromethyl)anilino]-1-oxopropan-2-yl]oxybenzamide

N-(3-chloro-2-methylphenyl)-4-[1-[2-chloro-5-(trifluoromethyl)anilino]-1-oxopropan-2-yl]oxybenzamide (PubChem CID 4055440) has the molecular formula C24H19Cl2F3N2O3 and a molecular weight of 511.33 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-4-[1-[2-chloro-5-(trifluoromethyl)anilino]-1-oxopropan-2-yl]oxybenzamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-4-[1-[2-chloro-5-(trifluoromethyl)anilino]-1-oxopropan-2-yl]oxybenzamide
PubChem CID4055440
Molecular FormulaC24H19Cl2F3N2O3
Molecular Weight511.33 g/mol
Exact Mass510.07
IUPAC NameN-(3-chloro-2-methylphenyl)-4-[1-[2-chloro-5-(trifluoromethyl)anilino]-1-oxopropan-2-yl]oxybenzamide
SMILESCc1c(Cl)cccc1NC(=O)c1ccc(OC(C)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1
InChIInChI=1S/C24H19Cl2F3N2O3/c1-13-18(25)4-3-5-20(13)30-23(33)15-6-9-17(10-7-15)34-14(2)22(32)31-21-12-16(24(27,28)29)8-11-19(21)26/h3-12,14H,1-2H3,(H,30,33)(H,31,32)
InChIKeyRKSHKIYEGJARDW-UHFFFAOYSA-N
XLogP6.98
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.33
LogP ≤ 56.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-methylphenoxy)propanamide
CID 1019991
4-[1-[2-chloro-5-(trifluoromethyl)anilino]-1-oxopropan-2-yl]oxy-N-(2-ethoxyphenyl)benzamide
CID 4055433
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-phenoxypropanamide
CID 3259116
(2S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3-methylphenoxy)propanamide
CID 8012046
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3,4-dimethylphenoxy)propanamide
CID 53266514
4-chloro-N-(2,3-dimethylphenyl)-3-[[(2S)-2-phenoxypropanoyl]amino]benzamide
CID 1041037
N-(3-chloro-2-methylphenyl)-4-propan-2-yloxybenzamide
CID 886785
[1-[2-chloro-5-(trifluoromethyl)anilino]-1-oxopropan-2-yl] 2-(4-chlorophenoxy)propanoate
CID 3275818
N-(2,5-dichlorophenyl)-4-[1-(2-methoxyanilino)-1-oxopropan-2-yl]oxybenzamide
CID 4248246
3-[2-(4-tert-butylphenoxy)propanoylamino]-4-chloro-N-propan-2-ylbenzamide
CID 55896073
butyl 2-[4-[(3-chloro-2-methylphenyl)carbamoyl]phenoxy]propanoate
CID 5076941
N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(1,1,2,3,3,3-hexafluoropropoxy)benzamide
CID 21203394

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-4-[1-[2-chloro-5-(trifluoromethyl)anilino]-1-oxopropan-2-yl]oxybenzamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-4-[1-[2-chloro-5-(trifluoromethyl)anilino]-1-oxopropan-2-yl]oxybenzamide (CID 4055440) is N-(3-chloro-2-methylphenyl)-4-[1-[2-chloro-5-(trifluoromethyl)anilino]-1-oxopropan-2-yl]oxybenzamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-4-[1-[2-chloro-5-(trifluoromethyl)anilino]-1-oxopropan-2-yl]oxybenzamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-4-[1-[2-chloro-5-(trifluoromethyl)anilino]-1-oxopropan-2-yl]oxybenzamide is Cc1c(Cl)cccc1NC(=O)c1ccc(OC(C)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-4-[1-[2-chloro-5-(trifluoromethyl)anilino]-1-oxopropan-2-yl]oxybenzamide?
The InChIKey is RKSHKIYEGJARDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19Cl2F3N2O3/c1-13-18(25)4-3-5-20(13)30-23(33)15-6-9-17(10-7-15)34-14(2)22(32)31-21-12-16(24(27,28)29)8-11-19(21)26/h3-12,14H,1-2H3,(H,30,33)(H,31,32).
What are the key properties of N-(3-chloro-2-methylphenyl)-4-[1-[2-chloro-5-(trifluoromethyl)anilino]-1-oxopropan-2-yl]oxybenzamide?
N-(3-chloro-2-methylphenyl)-4-[1-[2-chloro-5-(trifluoromethyl)anilino]-1-oxopropan-2-yl]oxybenzamide has a molecular weight of 511.33 g/mol, XLogP of 6.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-4-[1-[2-chloro-5-(trifluoromethyl)anilino]-1-oxopropan-2-yl]oxybenzamide is sourced from PubChem (CID 4055440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).