2-chloro-N-[4-(dimethylamino)-2-methylphenyl]propanamide

C12H17ClN2O — CID 43696996

IUPAC2-chloro-N-[4-(dimethylamino)-2-methylphenyl]propanamide
SMILESCc1cc(N(C)C)ccc1NC(=O)C(C)Cl
InChIInChI=1S/C12H17ClN2O/c1-8-7-10(15(3)4)5-6-11(8)14-12(16)9(2)13/h5-7,9H,1-4H3,(H,14,16)
InChIKeyNURJZFSVFCVABF-UHFFFAOYSA-N
MW240.73 g/mol
LogP2.63
Rot. Bonds3

About 2-chloro-N-[4-(dimethylamino)-2-methylphenyl]propanamide

2-chloro-N-[4-(dimethylamino)-2-methylphenyl]propanamide (PubChem CID 43696996) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is 2-chloro-N-[4-(dimethylamino)-2-methylphenyl]propanamide.

Molecular Properties

Compound Name2-chloro-N-[4-(dimethylamino)-2-methylphenyl]propanamide
PubChem CID43696996
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name2-chloro-N-[4-(dimethylamino)-2-methylphenyl]propanamide
SMILESCc1cc(N(C)C)ccc1NC(=O)C(C)Cl
InChIInChI=1S/C12H17ClN2O/c1-8-7-10(15(3)4)5-6-11(8)14-12(16)9(2)13/h5-7,9H,1-4H3,(H,14,16)
InChIKeyNURJZFSVFCVABF-UHFFFAOYSA-N
XLogP2.63
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[4-(dimethylamino)-2-methylphenyl]-2-methoxypropanamide
CID 47308010
(2S)-2-amino-N-[4-(dimethylamino)-2-methylphenyl]-3-methylbutanamide
CID 61156017
2-amino-N-[4-(dimethylamino)-2-methylphenyl]-3-methylbutanamide
CID 43700591
(2S)-2-amino-N-[4-(dimethylamino)-2-methylphenyl]butanamide
CID 79025228
2-chloro-N-(2-methylphenyl)propanamide
CID 3858908
2-(butan-2-ylamino)-N-[4-(dimethylamino)-2-methylphenyl]acetamide
CID 60853749
2-chloro-N-(4-ethoxy-2-methylphenyl)propanamide
CID 60933889
N-[1-[4-(dimethylamino)-2-methylanilino]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide
CID 55780216
N-[4-(dimethylamino)-2-methylphenyl]-2-methyl-2-(methylamino)propanamide
CID 55122413
2-chloro-N-(2,5-dimethylphenyl)propanamide
CID 25218955
4-amino-N-[4-(dimethylamino)-2-methylphenyl]benzamide
CID 43700590
1-[4-(dimethylamino)-2-methylphenyl]-3-[1-(4-sulfamoylphenyl)ethyl]urea
CID 55701761

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-(dimethylamino)-2-methylphenyl]propanamide?
The IUPAC name of 2-chloro-N-[4-(dimethylamino)-2-methylphenyl]propanamide (CID 43696996) is 2-chloro-N-[4-(dimethylamino)-2-methylphenyl]propanamide.
What is the SMILES notation for 2-chloro-N-[4-(dimethylamino)-2-methylphenyl]propanamide?
The canonical SMILES for 2-chloro-N-[4-(dimethylamino)-2-methylphenyl]propanamide is Cc1cc(N(C)C)ccc1NC(=O)C(C)Cl.
What is the InChIKey of 2-chloro-N-[4-(dimethylamino)-2-methylphenyl]propanamide?
The InChIKey is NURJZFSVFCVABF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-8-7-10(15(3)4)5-6-11(8)14-12(16)9(2)13/h5-7,9H,1-4H3,(H,14,16).
What are the key properties of 2-chloro-N-[4-(dimethylamino)-2-methylphenyl]propanamide?
2-chloro-N-[4-(dimethylamino)-2-methylphenyl]propanamide has a molecular weight of 240.73 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-(dimethylamino)-2-methylphenyl]propanamide is sourced from PubChem (CID 43696996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).