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

C27H24N2O2 — CID 68908310

IUPACN-[3-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]-2-methylbenzamide
SMILESCCN(C(=O)c1cccc(NC(=O)c2ccccc2C)c1)c1cccc2ccccc12
InChIInChI=1S/C27H24N2O2/c1-3-29(25-17-9-12-20-11-5-7-16-24(20)25)27(31)21-13-8-14-22(18-21)28-26(30)23-15-6-4-10-19(23)2/h4-18H,3H2,1-2H3,(H,28,30)
InChIKeyZFRMJDNEJSUEAE-UHFFFAOYSA-N
MW408.50 g/mol
LogP6.07
Rot. Bonds5

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

N-[3-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]-2-methylbenzamide (PubChem CID 68908310) has the molecular formula C27H24N2O2 and a molecular weight of 408.50 g/mol. Its IUPAC name is N-[3-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[3-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]-2-methylbenzamide
PubChem CID68908310
Molecular FormulaC27H24N2O2
Molecular Weight408.50 g/mol
Exact Mass408.18
IUPAC NameN-[3-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]-2-methylbenzamide
SMILESCCN(C(=O)c1cccc(NC(=O)c2ccccc2C)c1)c1cccc2ccccc12
InChIInChI=1S/C27H24N2O2/c1-3-29(25-17-9-12-20-11-5-7-16-24(20)25)27(31)21-13-8-14-22(18-21)28-26(30)23-15-6-4-10-19(23)2/h4-18H,3H2,1-2H3,(H,28,30)
InChIKeyZFRMJDNEJSUEAE-UHFFFAOYSA-N
XLogP6.07
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.50
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]-2-(trifluoromethyl)benzamide
CID 68905948
3-benzamido-N-ethyl-N-(2-methylphenyl)benzamide
CID 5158190
2,6-dichloro-N-[3-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]benzamide
CID 91500272
4-benzamido-N-ethyl-N-naphthalen-1-ylbenzamide
CID 4940825
N-[3-[[(2R)-butan-2-yl]carbamoyl]phenyl]-2-methylbenzamide
CID 42427396
N-ethyl-4-[[2-(2-methylphenyl)acetyl]amino]-N-naphthalen-1-ylbenzamide
CID 26169011
N-[4-[ethyl(phenyl)carbamoyl]phenyl]-2-methylbenzamide
CID 1243669
N-[3-(2,3-dimethylbenzoyl)phenyl]-2-methylbenzamide
CID 846043
N-ethyl-4-[(4-methoxybenzoyl)amino]-N-naphthalen-1-ylbenzamide
CID 4940850
N-[4-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]-3-nitrobenzamide
CID 4940815
2-chloro-N-[3-(diethylcarbamoyl)phenyl]benzamide
CID 17194505
3-cyano-N-ethyl-N-naphthalen-1-ylbenzamide
CID 43823026

Frequently Asked Questions

What is the IUPAC name of N-[3-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]-2-methylbenzamide?
The IUPAC name of N-[3-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]-2-methylbenzamide (CID 68908310) is N-[3-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]-2-methylbenzamide.
What is the SMILES notation for N-[3-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]-2-methylbenzamide?
The canonical SMILES for N-[3-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]-2-methylbenzamide is CCN(C(=O)c1cccc(NC(=O)c2ccccc2C)c1)c1cccc2ccccc12.
What is the InChIKey of N-[3-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]-2-methylbenzamide?
The InChIKey is ZFRMJDNEJSUEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O2/c1-3-29(25-17-9-12-20-11-5-7-16-24(20)25)27(31)21-13-8-14-22(18-21)28-26(30)23-15-6-4-10-19(23)2/h4-18H,3H2,1-2H3,(H,28,30).
What are the key properties of N-[3-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]-2-methylbenzamide?
N-[3-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]-2-methylbenzamide has a molecular weight of 408.50 g/mol, XLogP of 6.07, 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-methylbenzamide is sourced from PubChem (CID 68908310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).