2-chloro-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide

C13H19ClN2O — CID 2404780

IUPAC2-chloro-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide
SMILESCCN(c1ccc(NC(=O)CCl)cc1)C(C)C
InChIInChI=1S/C13H19ClN2O/c1-4-16(10(2)3)12-7-5-11(6-8-12)15-13(17)9-14/h5-8,10H,4,9H2,1-3H3,(H,15,17)
InChIKeyNPVGLFALEPXKBD-UHFFFAOYSA-N
MW254.76 g/mol
LogP3.10
Rot. Bonds5

About 2-chloro-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide

2-chloro-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide (PubChem CID 2404780) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is 2-chloro-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide
PubChem CID2404780
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name2-chloro-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide
SMILESCCN(c1ccc(NC(=O)CCl)cc1)C(C)C
InChIInChI=1S/C13H19ClN2O/c1-4-16(10(2)3)12-7-5-11(6-8-12)15-13(17)9-14/h5-8,10H,4,9H2,1-3H3,(H,15,17)
InChIKeyNPVGLFALEPXKBD-UHFFFAOYSA-N
XLogP3.10
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 53.10
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

3-chloro-N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-methylpropanamide
CID 62727901
N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-(propan-2-ylamino)acetamide
CID 60641040
5-[4-[ethyl(propan-2-yl)amino]anilino]-5-oxopentanoic acid
CID 43399748
methyl N-[2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethyl]carbamate
CID 51088000
2-(3,4-dichlorophenyl)-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide
CID 7892153
2-(azepan-1-yl)-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide
CID 2104267
4-amino-N-[4-[ethyl(propan-2-yl)amino]phenyl]-3-methoxybutanamide
CID 103155573
N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-methyl-3-(methylamino)propanamide
CID 79202648
2-chloro-N-[4-(N-ethylanilino)phenyl]acetamide
CID 11369740
N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-(3-fluorophenyl)acetamide
CID 2567084
2-[bis(furan-2-ylmethyl)amino]-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide
CID 27118860
2-amino-N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-methylbutanamide
CID 79804762

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide?
The IUPAC name of 2-chloro-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide (CID 2404780) is 2-chloro-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide.
What is the SMILES notation for 2-chloro-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide?
The canonical SMILES for 2-chloro-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide is CCN(c1ccc(NC(=O)CCl)cc1)C(C)C.
What is the InChIKey of 2-chloro-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide?
The InChIKey is NPVGLFALEPXKBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-4-16(10(2)3)12-7-5-11(6-8-12)15-13(17)9-14/h5-8,10H,4,9H2,1-3H3,(H,15,17).
What are the key properties of 2-chloro-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide?
2-chloro-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide has a molecular weight of 254.76 g/mol, XLogP of 3.10, 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-[ethyl(propan-2-yl)amino]phenyl]acetamide is sourced from PubChem (CID 2404780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).