3-chloro-2-methyl-N-[4-(2-methylpropanoylamino)phenyl]propanamide

C14H19ClN2O2 — CID 55111079

IUPAC3-chloro-2-methyl-N-[4-(2-methylpropanoylamino)phenyl]propanamide
SMILESCC(C)C(=O)Nc1ccc(NC(=O)C(C)CCl)cc1
InChIInChI=1S/C14H19ClN2O2/c1-9(2)13(18)16-11-4-6-12(7-5-11)17-14(19)10(3)8-15/h4-7,9-10H,8H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyJJNOXZJUOUXBPT-UHFFFAOYSA-N
MW282.77 g/mol
LogP3.09
Rot. Bonds5

About 3-chloro-2-methyl-N-[4-(2-methylpropanoylamino)phenyl]propanamide

3-chloro-2-methyl-N-[4-(2-methylpropanoylamino)phenyl]propanamide (PubChem CID 55111079) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 3-chloro-2-methyl-N-[4-(2-methylpropanoylamino)phenyl]propanamide.

Molecular Properties

Compound Name3-chloro-2-methyl-N-[4-(2-methylpropanoylamino)phenyl]propanamide
PubChem CID55111079
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name3-chloro-2-methyl-N-[4-(2-methylpropanoylamino)phenyl]propanamide
SMILESCC(C)C(=O)Nc1ccc(NC(=O)C(C)CCl)cc1
InChIInChI=1S/C14H19ClN2O2/c1-9(2)13(18)16-11-4-6-12(7-5-11)17-14(19)10(3)8-15/h4-7,9-10H,8H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyJJNOXZJUOUXBPT-UHFFFAOYSA-N
XLogP3.09
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(3-chloro-2-methylpropanoyl)amino]benzoic acid
CID 62727614
N-[4-(2-chloropropanoylamino)phenyl]-2-methylpropanamide
CID 43346560
3-chloro-N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-methylpropanamide
CID 62727901
3-chloro-2-methyl-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 62727759
methyl 2-[4-[(3-chloro-2-methylpropanoyl)amino]phenoxy]acetate
CID 62729425
(2S)-N-(4-acetamidophenyl)-2-methylbutanamide
CID 837961
N-[4-(butan-2-ylamino)phenyl]-2-methylpropanamide
CID 43683753
N-(3-acetamidophenyl)-3-chloro-2-methylpropanamide
CID 62728455
3-chloro-2-methyl-N-[[3-(2-methylpropanoylamino)phenyl]methyl]propanamide
CID 62728650
3-chloro-2-methyl-N-(4-pyrazol-1-ylphenyl)propanamide
CID 62726808
(2S)-N-(4-fluorophenyl)-2-methylbutanamide
CID 838022
trifluoro-[4-(2-methylpropanoylamino)phenyl]boranuide
CID 75176087

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-N-[4-(2-methylpropanoylamino)phenyl]propanamide?
The IUPAC name of 3-chloro-2-methyl-N-[4-(2-methylpropanoylamino)phenyl]propanamide (CID 55111079) is 3-chloro-2-methyl-N-[4-(2-methylpropanoylamino)phenyl]propanamide.
What is the SMILES notation for 3-chloro-2-methyl-N-[4-(2-methylpropanoylamino)phenyl]propanamide?
The canonical SMILES for 3-chloro-2-methyl-N-[4-(2-methylpropanoylamino)phenyl]propanamide is CC(C)C(=O)Nc1ccc(NC(=O)C(C)CCl)cc1.
What is the InChIKey of 3-chloro-2-methyl-N-[4-(2-methylpropanoylamino)phenyl]propanamide?
The InChIKey is JJNOXZJUOUXBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-9(2)13(18)16-11-4-6-12(7-5-11)17-14(19)10(3)8-15/h4-7,9-10H,8H2,1-3H3,(H,16,18)(H,17,19).
What are the key properties of 3-chloro-2-methyl-N-[4-(2-methylpropanoylamino)phenyl]propanamide?
3-chloro-2-methyl-N-[4-(2-methylpropanoylamino)phenyl]propanamide has a molecular weight of 282.77 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methyl-N-[4-(2-methylpropanoylamino)phenyl]propanamide is sourced from PubChem (CID 55111079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).