N-[3-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]-2-(trifluoromethyl)benzamide

C27H21F3N2O2 — CID 68905948

IUPACN-[3-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]-2-(trifluoromethyl)benzamide
SMILESCCN(C(=O)c1cccc(NC(=O)c2ccccc2C(F)(F)F)c1)c1cccc2ccccc12
InChIInChI=1S/C27H21F3N2O2/c1-2-32(24-16-8-10-18-9-3-4-13-21(18)24)26(34)19-11-7-12-20(17-19)31-25(33)22-14-5-6-15-23(22)27(28,29)30/h3-17H,2H2,1H3,(H,31,33)
InChIKeyOPNFLODIQFWSNH-UHFFFAOYSA-N
MW462.47 g/mol
LogP6.78
Rot. Bonds5

About N-[3-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]-2-(trifluoromethyl)benzamide

N-[3-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]-2-(trifluoromethyl)benzamide (PubChem CID 68905948) has the molecular formula C27H21F3N2O2 and a molecular weight of 462.47 g/mol. Its IUPAC name is N-[3-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[3-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]-2-(trifluoromethyl)benzamide
PubChem CID68905948
Molecular FormulaC27H21F3N2O2
Molecular Weight462.47 g/mol
Exact Mass462.16
IUPAC NameN-[3-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]-2-(trifluoromethyl)benzamide
SMILESCCN(C(=O)c1cccc(NC(=O)c2ccccc2C(F)(F)F)c1)c1cccc2ccccc12
InChIInChI=1S/C27H21F3N2O2/c1-2-32(24-16-8-10-18-9-3-4-13-21(18)24)26(34)19-11-7-12-20(17-19)31-25(33)22-14-5-6-15-23(22)27(28,29)30/h3-17H,2H2,1H3,(H,31,33)
InChIKeyOPNFLODIQFWSNH-UHFFFAOYSA-N
XLogP6.78
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.47
LogP ≤ 56.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]-2-methylbenzamide
CID 68908310
2,6-dichloro-N-[3-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]benzamide
CID 91500272
4-benzamido-N-ethyl-N-naphthalen-1-ylbenzamide
CID 4940825
3-benzamido-N-ethyl-N-(2-methylphenyl)benzamide
CID 5158190
N-(3-methylphenyl)-2-(trifluoromethyl)benzamide
CID 846758
N-[4-(diethylcarbamoyl)phenyl]-2-(trifluoromethyl)benzamide
CID 4785724
N-(3-hydroxyphenyl)-2-(trifluoromethyl)benzamide
CID 1259866
N-(3-fluorophenyl)-2-(trifluoromethyl)benzamide
CID 139177364
N-(3-aminophenyl)-2-(trifluoromethyl)benzamide
CID 16774950
N-[3-(diethylcarbamoyl)phenyl]-2-fluorobenzamide
CID 17194604
N-ethyl-4-[(4-methoxybenzoyl)amino]-N-naphthalen-1-ylbenzamide
CID 4940850
2-chloro-N-[3-(diethylcarbamoyl)phenyl]benzamide
CID 17194505

Frequently Asked Questions

What is the IUPAC name of N-[3-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[3-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]-2-(trifluoromethyl)benzamide (CID 68905948) is N-[3-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[3-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[3-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]-2-(trifluoromethyl)benzamide is CCN(C(=O)c1cccc(NC(=O)c2ccccc2C(F)(F)F)c1)c1cccc2ccccc12.
What is the InChIKey of N-[3-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]-2-(trifluoromethyl)benzamide?
The InChIKey is OPNFLODIQFWSNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21F3N2O2/c1-2-32(24-16-8-10-18-9-3-4-13-21(18)24)26(34)19-11-7-12-20(17-19)31-25(33)22-14-5-6-15-23(22)27(28,29)30/h3-17H,2H2,1H3,(H,31,33).
What are the key properties of N-[3-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]-2-(trifluoromethyl)benzamide?
N-[3-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]-2-(trifluoromethyl)benzamide has a molecular weight of 462.47 g/mol, XLogP of 6.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 68905948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).