N-(2-chloropropyl)-3-(dimethylamino)benzamide

C12H17ClN2O — CID 114296505

IUPACN-(2-chloropropyl)-3-(dimethylamino)benzamide
SMILESCC(Cl)CNC(=O)c1cccc(N(C)C)c1
InChIInChI=1S/C12H17ClN2O/c1-9(13)8-14-12(16)10-5-4-6-11(7-10)15(2)3/h4-7,9H,8H2,1-3H3,(H,14,16)
InChIKeyTUANNAPZZUZKLS-UHFFFAOYSA-N
MW240.73 g/mol
LogP2.11
Rot. Bonds4

About N-(2-chloropropyl)-3-(dimethylamino)benzamide

N-(2-chloropropyl)-3-(dimethylamino)benzamide (PubChem CID 114296505) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is N-(2-chloropropyl)-3-(dimethylamino)benzamide.

Molecular Properties

Compound NameN-(2-chloropropyl)-3-(dimethylamino)benzamide
PubChem CID114296505
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC NameN-(2-chloropropyl)-3-(dimethylamino)benzamide
SMILESCC(Cl)CNC(=O)c1cccc(N(C)C)c1
InChIInChI=1S/C12H17ClN2O/c1-9(13)8-14-12(16)10-5-4-6-11(7-10)15(2)3/h4-7,9H,8H2,1-3H3,(H,14,16)
InChIKeyTUANNAPZZUZKLS-UHFFFAOYSA-N
XLogP2.11
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 52.11
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-(2-cyanopropyl)-3-(dimethylamino)benzamide
CID 62652034
N-(4-amino-2-methylbutyl)-3-(dimethylamino)benzamide
CID 66090676
N-(2,2-diethoxyethyl)-3-(dimethylamino)benzamide
CID 78909705
3-(dimethylamino)-N-[2-(dimethylamino)-2-phenylethyl]benzamide
CID 42891486
2-[[[3-(dimethylamino)benzoyl]amino]methyl]butanoic acid
CID 65217823
3-(dimethylamino)-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 30604269
3-(dimethylamino)-N-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]benzamide
CID 51941960
3-(dimethylamino)-N-[3-[methyl(propan-2-yl)amino]propyl]benzamide
CID 47182779
N-[(2R)-butan-2-yl]-3-(dimethylamino)benzamide
CID 25345776
N-butan-2-yl-3-(dimethylamino)benzamide
CID 17310829
N-(5-chloropentyl)-3-(dimethylamino)benzamide
CID 107321118
3-(dimethylamino)-N-(3,3-diphenylpropyl)benzamide
CID 7892053

Frequently Asked Questions

What is the IUPAC name of N-(2-chloropropyl)-3-(dimethylamino)benzamide?
The IUPAC name of N-(2-chloropropyl)-3-(dimethylamino)benzamide (CID 114296505) is N-(2-chloropropyl)-3-(dimethylamino)benzamide.
What is the SMILES notation for N-(2-chloropropyl)-3-(dimethylamino)benzamide?
The canonical SMILES for N-(2-chloropropyl)-3-(dimethylamino)benzamide is CC(Cl)CNC(=O)c1cccc(N(C)C)c1.
What is the InChIKey of N-(2-chloropropyl)-3-(dimethylamino)benzamide?
The InChIKey is TUANNAPZZUZKLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-9(13)8-14-12(16)10-5-4-6-11(7-10)15(2)3/h4-7,9H,8H2,1-3H3,(H,14,16).
What are the key properties of N-(2-chloropropyl)-3-(dimethylamino)benzamide?
N-(2-chloropropyl)-3-(dimethylamino)benzamide has a molecular weight of 240.73 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloropropyl)-3-(dimethylamino)benzamide is sourced from PubChem (CID 114296505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).