2,6-dichloro-N-[3-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]benzamide

C26H20Cl2N2O2 — CID 91500272

IUPAC2,6-dichloro-N-[3-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]benzamide
SMILESCCN(C(=O)c1cccc(NC(=O)c2c(Cl)cccc2Cl)c1)c1cccc2ccccc12
InChIInChI=1S/C26H20Cl2N2O2/c1-2-30(23-15-6-9-17-8-3-4-12-20(17)23)26(32)18-10-5-11-19(16-18)29-25(31)24-21(27)13-7-14-22(24)28/h3-16H,2H2,1H3,(H,29,31)
InChIKeyHGTCRVWOEKPYCW-UHFFFAOYSA-N
MW463.36 g/mol
LogP7.07
Rot. Bonds5

About 2,6-dichloro-N-[3-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]benzamide

2,6-dichloro-N-[3-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]benzamide (PubChem CID 91500272) has the molecular formula C26H20Cl2N2O2 and a molecular weight of 463.36 g/mol. Its IUPAC name is 2,6-dichloro-N-[3-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-[3-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]benzamide
PubChem CID91500272
Molecular FormulaC26H20Cl2N2O2
Molecular Weight463.36 g/mol
Exact Mass462.09
IUPAC Name2,6-dichloro-N-[3-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]benzamide
SMILESCCN(C(=O)c1cccc(NC(=O)c2c(Cl)cccc2Cl)c1)c1cccc2ccccc12
InChIInChI=1S/C26H20Cl2N2O2/c1-2-30(23-15-6-9-17-8-3-4-12-20(17)23)26(32)18-10-5-11-19(16-18)29-25(31)24-21(27)13-7-14-22(24)28/h3-16H,2H2,1H3,(H,29,31)
InChIKeyHGTCRVWOEKPYCW-UHFFFAOYSA-N
XLogP7.07
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.36
LogP ≤ 57.07
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
N-[3-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]-2-(trifluoromethyl)benzamide
CID 68905948
3,4-dichloro-N-ethyl-N-naphthalen-1-ylbenzamide
CID 54499279
4-benzamido-N-ethyl-N-naphthalen-1-ylbenzamide
CID 4940825
3-benzamido-N-ethyl-N-(2-methylphenyl)benzamide
CID 5158190
2-chloro-N-[3-(diethylcarbamoyl)phenyl]benzamide
CID 17194505
N-[4-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]-3-nitrobenzamide
CID 4940815
4-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]-N-ethyl-N-naphthalen-1-ylbenzamide
CID 6234760
3-butan-2-yloxy-N-[4-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]benzamide
CID 43878417
N-ethyl-4-[(4-methoxybenzoyl)amino]-N-naphthalen-1-ylbenzamide
CID 4940850
3-cyano-N-ethyl-N-naphthalen-1-ylbenzamide
CID 43823026
N-[4-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]-3,4,5-trimethoxybenzamide
CID 4940863

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[3-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]benzamide?
The IUPAC name of 2,6-dichloro-N-[3-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]benzamide (CID 91500272) is 2,6-dichloro-N-[3-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]benzamide.
What is the SMILES notation for 2,6-dichloro-N-[3-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]benzamide?
The canonical SMILES for 2,6-dichloro-N-[3-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]benzamide is CCN(C(=O)c1cccc(NC(=O)c2c(Cl)cccc2Cl)c1)c1cccc2ccccc12.
What is the InChIKey of 2,6-dichloro-N-[3-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]benzamide?
The InChIKey is HGTCRVWOEKPYCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20Cl2N2O2/c1-2-30(23-15-6-9-17-8-3-4-12-20(17)23)26(32)18-10-5-11-19(16-18)29-25(31)24-21(27)13-7-14-22(24)28/h3-16H,2H2,1H3,(H,29,31).
What are the key properties of 2,6-dichloro-N-[3-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]benzamide?
2,6-dichloro-N-[3-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]benzamide has a molecular weight of 463.36 g/mol, XLogP of 7.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[3-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]benzamide is sourced from PubChem (CID 91500272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).