4-[(2-chlorophenyl)methyl]-3-ethylbenzamide

C16H16ClNO — CID 174688363

IUPAC4-[(2-chlorophenyl)methyl]-3-ethylbenzamide
SMILESCCc1cc(C(N)=O)ccc1Cc1ccccc1Cl
InChIInChI=1S/C16H16ClNO/c1-2-11-9-14(16(18)19)8-7-12(11)10-13-5-3-4-6-15(13)17/h3-9H,2,10H2,1H3,(H2,18,19)
InChIKeyGXXXPCKPZZSJNI-UHFFFAOYSA-N
MW273.76 g/mol
LogP3.59
Rot. Bonds4

About 4-[(2-chlorophenyl)methyl]-3-ethylbenzamide

4-[(2-chlorophenyl)methyl]-3-ethylbenzamide (PubChem CID 174688363) has the molecular formula C16H16ClNO and a molecular weight of 273.76 g/mol. Its IUPAC name is 4-[(2-chlorophenyl)methyl]-3-ethylbenzamide.

Molecular Properties

Compound Name4-[(2-chlorophenyl)methyl]-3-ethylbenzamide
PubChem CID174688363
Molecular FormulaC16H16ClNO
Molecular Weight273.76 g/mol
Exact Mass273.09
IUPAC Name4-[(2-chlorophenyl)methyl]-3-ethylbenzamide
SMILESCCc1cc(C(N)=O)ccc1Cc1ccccc1Cl
InChIInChI=1S/C16H16ClNO/c1-2-11-9-14(16(18)19)8-7-12(11)10-13-5-3-4-6-15(13)17/h3-9H,2,10H2,1H3,(H2,18,19)
InChIKeyGXXXPCKPZZSJNI-UHFFFAOYSA-N
XLogP3.59
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.76
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[(2-chlorophenyl)methyl]-2-ethyl-3-propanoyl-1H-indole-6-carboxamide
CID 140986014
3-amino-4-[(2-chlorophenyl)methylsulfanylmethyl]benzamide
CID 103288323
3-amino-4-ethylbenzamide
CID 19977641
2-chloro-1-[(2-chlorophenyl)methyl]-3-ethylindole-6-carboxamide
CID 22627339
3-ethyl-4-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 174701128
1-chloro-2-ethylbenzene;dihydroxy(oxo)phosphanium
CID 70452209
1-[(2-chlorophenyl)methyl]-3-ethyl-2-propanoylindole-6-carboxamide
CID 10270421
chlorobenzene;4-ethyl-3-nitrobenzamide
CID 174709581
3,4-bis(fluoromethyl)benzamide
CID 90892252
4-chloro-3-ethylbenzoic acid
CID 21412279
3-amino-4-[(4-chloro-3-ethylphenoxy)methyl]benzamide
CID 43376930
3-ethyl-4-formylbenzamide
CID 123649446

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenyl)methyl]-3-ethylbenzamide?
The IUPAC name of 4-[(2-chlorophenyl)methyl]-3-ethylbenzamide (CID 174688363) is 4-[(2-chlorophenyl)methyl]-3-ethylbenzamide.
What is the SMILES notation for 4-[(2-chlorophenyl)methyl]-3-ethylbenzamide?
The canonical SMILES for 4-[(2-chlorophenyl)methyl]-3-ethylbenzamide is CCc1cc(C(N)=O)ccc1Cc1ccccc1Cl.
What is the InChIKey of 4-[(2-chlorophenyl)methyl]-3-ethylbenzamide?
The InChIKey is GXXXPCKPZZSJNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO/c1-2-11-9-14(16(18)19)8-7-12(11)10-13-5-3-4-6-15(13)17/h3-9H,2,10H2,1H3,(H2,18,19).
What are the key properties of 4-[(2-chlorophenyl)methyl]-3-ethylbenzamide?
4-[(2-chlorophenyl)methyl]-3-ethylbenzamide has a molecular weight of 273.76 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorophenyl)methyl]-3-ethylbenzamide is sourced from PubChem (CID 174688363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).