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

C15H23ClN2O — CID 62727901

IUPAC3-chloro-N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-methylpropanamide
SMILESCCN(c1ccc(NC(=O)C(C)CCl)cc1)C(C)C
InChIInChI=1S/C15H23ClN2O/c1-5-18(11(2)3)14-8-6-13(7-9-14)17-15(19)12(4)10-16/h6-9,11-12H,5,10H2,1-4H3,(H,17,19)
InChIKeySLBXNFQMRGMAHZ-UHFFFAOYSA-N
MW282.82 g/mol
LogP3.73
Rot. Bonds6

About 3-chloro-N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-methylpropanamide

3-chloro-N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-methylpropanamide (PubChem CID 62727901) has the molecular formula C15H23ClN2O and a molecular weight of 282.82 g/mol. Its IUPAC name is 3-chloro-N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-methylpropanamide.

Molecular Properties

Compound Name3-chloro-N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-methylpropanamide
PubChem CID62727901
Molecular FormulaC15H23ClN2O
Molecular Weight282.82 g/mol
Exact Mass282.15
IUPAC Name3-chloro-N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-methylpropanamide
SMILESCCN(c1ccc(NC(=O)C(C)CCl)cc1)C(C)C
InChIInChI=1S/C15H23ClN2O/c1-5-18(11(2)3)14-8-6-13(7-9-14)17-15(19)12(4)10-16/h6-9,11-12H,5,10H2,1-4H3,(H,17,19)
InChIKeySLBXNFQMRGMAHZ-UHFFFAOYSA-N
XLogP3.73
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.82
LogP ≤ 53.73
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-[ethyl(propan-2-yl)amino]phenyl]-2-methyl-3-(methylamino)propanamide
CID 79202648
2-chloro-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide
CID 2404780
3-chloro-2-methyl-N-[4-(2-methylpropanoylamino)phenyl]propanamide
CID 55111079
1-[4-[ethyl(propan-2-yl)amino]phenyl]-3-(1-hydroxybutan-2-yl)urea
CID 110890686
N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-(propan-2-ylamino)acetamide
CID 60641040
4-[(3-chloro-2-methylpropanoyl)amino]benzoic acid
CID 62727614
2-(4-bromophenoxy)-N-[4-[ethyl(propan-2-yl)amino]phenyl]propanamide
CID 18279632
5-[4-[ethyl(propan-2-yl)amino]anilino]-5-oxopentanoic acid
CID 43399748
2-amino-N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-methylbutanamide
CID 79804762
methyl N-[2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethyl]carbamate
CID 51088000
N-[4-[ethyl(propan-2-yl)amino]phenyl]-1,2,5-thiadiazole-3-carboxamide
CID 47260947
2-(3,4-dichlorophenyl)-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide
CID 7892153

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-methylpropanamide?
The IUPAC name of 3-chloro-N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-methylpropanamide (CID 62727901) is 3-chloro-N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-methylpropanamide.
What is the SMILES notation for 3-chloro-N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-methylpropanamide?
The canonical SMILES for 3-chloro-N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-methylpropanamide is CCN(c1ccc(NC(=O)C(C)CCl)cc1)C(C)C.
What is the InChIKey of 3-chloro-N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-methylpropanamide?
The InChIKey is SLBXNFQMRGMAHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-5-18(11(2)3)14-8-6-13(7-9-14)17-15(19)12(4)10-16/h6-9,11-12H,5,10H2,1-4H3,(H,17,19).
What are the key properties of 3-chloro-N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-methylpropanamide?
3-chloro-N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-methylpropanamide has a molecular weight of 282.82 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-methylpropanamide is sourced from PubChem (CID 62727901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).