N-benzyl-4-chloro-N-ethyl-2-hydroxybenzamide

C16H16ClNO2 — CID 28826070

IUPACN-benzyl-4-chloro-N-ethyl-2-hydroxybenzamide
SMILESCCN(Cc1ccccc1)C(=O)c1ccc(Cl)cc1O
InChIInChI=1S/C16H16ClNO2/c1-2-18(11-12-6-4-3-5-7-12)16(20)14-9-8-13(17)10-15(14)19/h3-10,19H,2,11H2,1H3
InChIKeyBXXXXQMQCLCTHZ-UHFFFAOYSA-N
MW289.76 g/mol
LogP3.71
Rot. Bonds4

About N-benzyl-4-chloro-N-ethyl-2-hydroxybenzamide

N-benzyl-4-chloro-N-ethyl-2-hydroxybenzamide (PubChem CID 28826070) has the molecular formula C16H16ClNO2 and a molecular weight of 289.76 g/mol. Its IUPAC name is N-benzyl-4-chloro-N-ethyl-2-hydroxybenzamide.

Molecular Properties

Compound NameN-benzyl-4-chloro-N-ethyl-2-hydroxybenzamide
PubChem CID28826070
Molecular FormulaC16H16ClNO2
Molecular Weight289.76 g/mol
Exact Mass289.09
IUPAC NameN-benzyl-4-chloro-N-ethyl-2-hydroxybenzamide
SMILESCCN(Cc1ccccc1)C(=O)c1ccc(Cl)cc1O
InChIInChI=1S/C16H16ClNO2/c1-2-18(11-12-6-4-3-5-7-12)16(20)14-9-8-13(17)10-15(14)19/h3-10,19H,2,11H2,1H3
InChIKeyBXXXXQMQCLCTHZ-UHFFFAOYSA-N
XLogP3.71
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.76
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 60655635
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N-[(2-aminophenyl)methyl]-2,4-dichloro-N-ethylbenzamide
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2-amino-N-benzyl-N-ethyl-4-fluorobenzamide
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2,4-diamino-N-[(3-chlorophenyl)methyl]-N-ethylbenzamide
CID 61105036
2-amino-N-[(3-chlorophenyl)methyl]-N-ethyl-5-hydroxybenzamide
CID 107074471
N-benzyl-N-ethyl-4-fluoro-2-methylbenzamide
CID 115745298
4-chloro-N-(2-cyanopropyl)-N-ethyl-2-hydroxybenzamide
CID 54988577
N-benzyl-N-ethyl-2-fluoro-4-methoxybenzamide
CID 103602990
2-amino-4-chloro-N,N-diethylbenzamide
CID 16773722
1-benzyl-3-[(3-chlorophenyl)methyl]-1-ethylurea
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CID 113204705

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-chloro-N-ethyl-2-hydroxybenzamide?
The IUPAC name of N-benzyl-4-chloro-N-ethyl-2-hydroxybenzamide (CID 28826070) is N-benzyl-4-chloro-N-ethyl-2-hydroxybenzamide.
What is the SMILES notation for N-benzyl-4-chloro-N-ethyl-2-hydroxybenzamide?
The canonical SMILES for N-benzyl-4-chloro-N-ethyl-2-hydroxybenzamide is CCN(Cc1ccccc1)C(=O)c1ccc(Cl)cc1O.
What is the InChIKey of N-benzyl-4-chloro-N-ethyl-2-hydroxybenzamide?
The InChIKey is BXXXXQMQCLCTHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2/c1-2-18(11-12-6-4-3-5-7-12)16(20)14-9-8-13(17)10-15(14)19/h3-10,19H,2,11H2,1H3.
What are the key properties of N-benzyl-4-chloro-N-ethyl-2-hydroxybenzamide?
N-benzyl-4-chloro-N-ethyl-2-hydroxybenzamide has a molecular weight of 289.76 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-chloro-N-ethyl-2-hydroxybenzamide is sourced from PubChem (CID 28826070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).