4-(chloromethyl)-N-[4-(dimethylamino)phenyl]benzamide

C16H17ClN2O — CID 43617033

IUPAC4-(chloromethyl)-N-[4-(dimethylamino)phenyl]benzamide
SMILESCN(C)c1ccc(NC(=O)c2ccc(CCl)cc2)cc1
InChIInChI=1S/C16H17ClN2O/c1-19(2)15-9-7-14(8-10-15)18-16(20)13-5-3-12(11-17)4-6-13/h3-10H,11H2,1-2H3,(H,18,20)
InChIKeyXGGYUIJGHPEFNH-UHFFFAOYSA-N
MW288.78 g/mol
LogP3.74
Rot. Bonds4

About 4-(chloromethyl)-N-[4-(dimethylamino)phenyl]benzamide

4-(chloromethyl)-N-[4-(dimethylamino)phenyl]benzamide (PubChem CID 43617033) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is 4-(chloromethyl)-N-[4-(dimethylamino)phenyl]benzamide.

Molecular Properties

Compound Name4-(chloromethyl)-N-[4-(dimethylamino)phenyl]benzamide
PubChem CID43617033
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC Name4-(chloromethyl)-N-[4-(dimethylamino)phenyl]benzamide
SMILESCN(C)c1ccc(NC(=O)c2ccc(CCl)cc2)cc1
InChIInChI=1S/C16H17ClN2O/c1-19(2)15-9-7-14(8-10-15)18-16(20)13-5-3-12(11-17)4-6-13/h3-10H,11H2,1-2H3,(H,18,20)
InChIKeyXGGYUIJGHPEFNH-UHFFFAOYSA-N
XLogP3.74
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 53.74
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'}

Analyze 4-(chloromethyl)-N-[4-(dimethylamino)phenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(bromomethyl)phenyl]-4-(dimethylamino)benzamide
CID 114310879
N-[3-(chloromethyl)phenyl]-4-(dimethylamino)benzamide
CID 114293242
4-[[4-(dimethylamino)phenyl]carbamoyl]benzoyl chloride
CID 122527773
N-(4-acetamidophenyl)-4-(dimethylamino)benzamide
CID 669679
4-(chloromethyl)-N-(4-chlorophenyl)benzamide
CID 43333316
4-[[4-(chloromethyl)benzoyl]amino]benzoic acid
CID 61251560
4-(dimethylamino)-N-(4-iodophenyl)benzamide
CID 590767
4-(dimethylamino)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide
CID 108743672
N-[4-(chloromethyl)phenyl]-4-methylsulfonylbenzamide
CID 114299897
4-N-[4-(dimethylamino)phenyl]-1-N-pentylbenzene-1,4-dicarboxamide
CID 109048766
4-(chloromethyl)-N',N'-dimethylbenzohydrazide
CID 83011386
4-(dimethylamino)-N-(4-methoxyphenyl)benzamide
CID 867710

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-N-[4-(dimethylamino)phenyl]benzamide?
The IUPAC name of 4-(chloromethyl)-N-[4-(dimethylamino)phenyl]benzamide (CID 43617033) is 4-(chloromethyl)-N-[4-(dimethylamino)phenyl]benzamide.
What is the SMILES notation for 4-(chloromethyl)-N-[4-(dimethylamino)phenyl]benzamide?
The canonical SMILES for 4-(chloromethyl)-N-[4-(dimethylamino)phenyl]benzamide is CN(C)c1ccc(NC(=O)c2ccc(CCl)cc2)cc1.
What is the InChIKey of 4-(chloromethyl)-N-[4-(dimethylamino)phenyl]benzamide?
The InChIKey is XGGYUIJGHPEFNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O/c1-19(2)15-9-7-14(8-10-15)18-16(20)13-5-3-12(11-17)4-6-13/h3-10H,11H2,1-2H3,(H,18,20).
What are the key properties of 4-(chloromethyl)-N-[4-(dimethylamino)phenyl]benzamide?
4-(chloromethyl)-N-[4-(dimethylamino)phenyl]benzamide has a molecular weight of 288.78 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-N-[4-(dimethylamino)phenyl]benzamide is sourced from PubChem (CID 43617033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).