2-chloro-N-[4-(N-ethylanilino)phenyl]acetamide

C16H17ClN2O — CID 11369740

IUPAC2-chloro-N-[4-(N-ethylanilino)phenyl]acetamide
SMILESCCN(c1ccccc1)c1ccc(NC(=O)CCl)cc1
InChIInChI=1S/C16H17ClN2O/c1-2-19(14-6-4-3-5-7-14)15-10-8-13(9-11-15)18-16(20)12-17/h3-11H,2,12H2,1H3,(H,18,20)
InChIKeyYELPEOAOEQJUAH-UHFFFAOYSA-N
MW288.78 g/mol
LogP4.02
Rot. Bonds5

About 2-chloro-N-[4-(N-ethylanilino)phenyl]acetamide

2-chloro-N-[4-(N-ethylanilino)phenyl]acetamide (PubChem CID 11369740) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is 2-chloro-N-[4-(N-ethylanilino)phenyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[4-(N-ethylanilino)phenyl]acetamide
PubChem CID11369740
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC Name2-chloro-N-[4-(N-ethylanilino)phenyl]acetamide
SMILESCCN(c1ccccc1)c1ccc(NC(=O)CCl)cc1
InChIInChI=1S/C16H17ClN2O/c1-2-19(14-6-4-3-5-7-14)15-10-8-13(9-11-15)18-16(20)12-17/h3-11H,2,12H2,1H3,(H,18,20)
InChIKeyYELPEOAOEQJUAH-UHFFFAOYSA-N
XLogP4.02
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[4-(N-ethylanilino)phenyl]-2-(2-methoxyphenoxy)acetamide
CID 112986562
2-chloro-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide
CID 2404780
5-(N-ethylanilino)-N-(4-ethylphenyl)pyridine-2-carboxamide
CID 109198416
N-[4-(N-ethylanilino)phenyl]-2-methoxybenzamide
CID 112986547
2-chloro-N-(4-phenylsulfanylphenyl)acetamide
CID 12734393
N-[4-(N-methylanilino)phenyl]butanamide
CID 112986076
N-[4-(diethylamino)phenyl]-N'-ethyl-N'-phenylpropanediamide
CID 108954138
N-[4-(N-ethylanilino)phenyl]-3,4-dimethoxybenzamide
CID 112986552
N-(4-acetamidophenyl)-4-(N-ethylanilino)pyridine-2-carboxamide
CID 109220336
2-chloro-N-[4-[4-(dimethylamino)phenyl]sulfanylphenyl]acetamide
CID 139650052
2-[4-(diethylamino)anilino]-N-phenylacetamide
CID 70365941
3-[4-(diethylamino)anilino]-3-oxopropanoic acid
CID 62230045

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-(N-ethylanilino)phenyl]acetamide?
The IUPAC name of 2-chloro-N-[4-(N-ethylanilino)phenyl]acetamide (CID 11369740) is 2-chloro-N-[4-(N-ethylanilino)phenyl]acetamide.
What is the SMILES notation for 2-chloro-N-[4-(N-ethylanilino)phenyl]acetamide?
The canonical SMILES for 2-chloro-N-[4-(N-ethylanilino)phenyl]acetamide is CCN(c1ccccc1)c1ccc(NC(=O)CCl)cc1.
What is the InChIKey of 2-chloro-N-[4-(N-ethylanilino)phenyl]acetamide?
The InChIKey is YELPEOAOEQJUAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O/c1-2-19(14-6-4-3-5-7-14)15-10-8-13(9-11-15)18-16(20)12-17/h3-11H,2,12H2,1H3,(H,18,20).
What are the key properties of 2-chloro-N-[4-(N-ethylanilino)phenyl]acetamide?
2-chloro-N-[4-(N-ethylanilino)phenyl]acetamide has a molecular weight of 288.78 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-(N-ethylanilino)phenyl]acetamide is sourced from PubChem (CID 11369740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).