4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-ethyl-N-naphthalen-1-ylbenzamide

C28H25ClN2O3 — CID 4940764

IUPAC4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-ethyl-N-naphthalen-1-ylbenzamide
SMILESCCN(C(=O)c1ccc(NC(=O)COc2ccc(Cl)c(C)c2)cc1)c1cccc2ccccc12
InChIInChI=1S/C28H25ClN2O3/c1-3-31(26-10-6-8-20-7-4-5-9-24(20)26)28(33)21-11-13-22(14-12-21)30-27(32)18-34-23-15-16-25(29)19(2)17-23/h4-17H,3,18H2,1-2H3,(H,30,32)
InChIKeyCGBVHZJAOJKCPV-UHFFFAOYSA-N
MW472.97 g/mol
LogP6.49
Rot. Bonds7

About 4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-ethyl-N-naphthalen-1-ylbenzamide

4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-ethyl-N-naphthalen-1-ylbenzamide (PubChem CID 4940764) has the molecular formula C28H25ClN2O3 and a molecular weight of 472.97 g/mol. Its IUPAC name is 4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-ethyl-N-naphthalen-1-ylbenzamide.

Molecular Properties

Compound Name4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-ethyl-N-naphthalen-1-ylbenzamide
PubChem CID4940764
Molecular FormulaC28H25ClN2O3
Molecular Weight472.97 g/mol
Exact Mass472.16
IUPAC Name4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-ethyl-N-naphthalen-1-ylbenzamide
SMILESCCN(C(=O)c1ccc(NC(=O)COc2ccc(Cl)c(C)c2)cc1)c1cccc2ccccc12
InChIInChI=1S/C28H25ClN2O3/c1-3-31(26-10-6-8-20-7-4-5-9-24(20)26)28(33)21-11-13-22(14-12-21)30-27(32)18-34-23-15-16-25(29)19(2)17-23/h4-17H,3,18H2,1-2H3,(H,30,32)
InChIKeyCGBVHZJAOJKCPV-UHFFFAOYSA-N
XLogP6.49
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.97
LogP ≤ 56.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-[4-[ethyl(naphthalen-1-yl)carbamoyl]anilino]-3-oxopropanoate
CID 26168945
3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N,N-diethylbenzamide
CID 17194482
N-ethyl-4-[[2-(2-methylphenyl)acetyl]amino]-N-naphthalen-1-ylbenzamide
CID 26169011
2-(4-chloro-3-methylphenoxy)-N-(4-propoxyphenyl)acetamide
CID 4942951
4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-[2-(diethylamino)ethyl]benzamide
CID 8000257
N-ethyl-4-[(4-methoxybenzoyl)amino]-N-naphthalen-1-ylbenzamide
CID 4940850
2-(4-chloro-3-methylphenoxy)-N-(4-ethylphenyl)acetamide
CID 841196
4-benzamido-N-ethyl-N-naphthalen-1-ylbenzamide
CID 4940825
2-(4-chloro-3-methylphenoxy)-N-(2-hydroxynaphthalen-1-yl)acetamide
CID 8797487
N-[4-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]-3,4,5-trimethoxybenzamide
CID 4940863
N-[4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]phenyl]-1-benzofuran-2-carboxamide
CID 3576471
2-(4-chloro-3-methylphenoxy)-N-(9,10-dioxoanthracen-2-yl)acetamide
CID 2892979

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-ethyl-N-naphthalen-1-ylbenzamide?
The IUPAC name of 4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-ethyl-N-naphthalen-1-ylbenzamide (CID 4940764) is 4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-ethyl-N-naphthalen-1-ylbenzamide.
What is the SMILES notation for 4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-ethyl-N-naphthalen-1-ylbenzamide?
The canonical SMILES for 4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-ethyl-N-naphthalen-1-ylbenzamide is CCN(C(=O)c1ccc(NC(=O)COc2ccc(Cl)c(C)c2)cc1)c1cccc2ccccc12.
What is the InChIKey of 4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-ethyl-N-naphthalen-1-ylbenzamide?
The InChIKey is CGBVHZJAOJKCPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25ClN2O3/c1-3-31(26-10-6-8-20-7-4-5-9-24(20)26)28(33)21-11-13-22(14-12-21)30-27(32)18-34-23-15-16-25(29)19(2)17-23/h4-17H,3,18H2,1-2H3,(H,30,32).
What are the key properties of 4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-ethyl-N-naphthalen-1-ylbenzamide?
4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-ethyl-N-naphthalen-1-ylbenzamide has a molecular weight of 472.97 g/mol, XLogP of 6.49, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-ethyl-N-naphthalen-1-ylbenzamide is sourced from PubChem (CID 4940764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).