4-[(4-chlorophenyl)methylamino]-N-propan-2-ylbenzamide

C17H19ClN2O — CID 60935576

IUPAC4-[(4-chlorophenyl)methylamino]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(NCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H19ClN2O/c1-12(2)20-17(21)14-5-9-16(10-6-14)19-11-13-3-7-15(18)8-4-13/h3-10,12,19H,11H2,1-2H3,(H,20,21)
InChIKeyQYUIFIJIXKWBHI-UHFFFAOYSA-N
MW302.81 g/mol
LogP4.09
Rot. Bonds5

About 4-[(4-chlorophenyl)methylamino]-N-propan-2-ylbenzamide

4-[(4-chlorophenyl)methylamino]-N-propan-2-ylbenzamide (PubChem CID 60935576) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)methylamino]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-[(4-chlorophenyl)methylamino]-N-propan-2-ylbenzamide
PubChem CID60935576
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC Name4-[(4-chlorophenyl)methylamino]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(NCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H19ClN2O/c1-12(2)20-17(21)14-5-9-16(10-6-14)19-11-13-3-7-15(18)8-4-13/h3-10,12,19H,11H2,1-2H3,(H,20,21)
InChIKeyQYUIFIJIXKWBHI-UHFFFAOYSA-N
XLogP4.09
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[(4-chlorophenyl)methylamino]-N-propan-2-ylbenzamide 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

4-chloro-N-propan-2-ylbenzamide
CID 24045
4-[(4-chlorophenyl)carbamoylamino]-N-propan-2-ylbenzamide
CID 17180574
4-[(4-chlorophenyl)sulfanylmethyl]-N-propan-2-ylbenzamide
CID 27648094
N-[(4-chlorophenyl)methyl]-4-(ethylamino)benzamide
CID 62184890
N-[4-[(4-chlorophenyl)methylamino]phenyl]benzamide
CID 112982578
1-[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]-3-propan-2-ylurea
CID 113027295
4-chloro-N-[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]benzamide
CID 113027275
4-(benzylamino)-N-[(2R)-1-hydroxypropan-2-yl]benzamide
CID 95765057
4-[[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]amino]-N-propan-2-ylbenzamide
CID 54840266
4-[[2-oxo-2-[(4-propan-2-yloxyphenyl)methylamino]ethyl]amino]-N-propan-2-ylbenzamide
CID 54840298
4-[(2-methylhydrazinyl)methyl]-N-propan-2-ylbenzamide;hydrochloride
CID 9703
4-[(5-methylfuran-2-yl)methylamino]-N-propan-2-ylbenzamide
CID 60934712

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)methylamino]-N-propan-2-ylbenzamide?
The IUPAC name of 4-[(4-chlorophenyl)methylamino]-N-propan-2-ylbenzamide (CID 60935576) is 4-[(4-chlorophenyl)methylamino]-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-[(4-chlorophenyl)methylamino]-N-propan-2-ylbenzamide?
The canonical SMILES for 4-[(4-chlorophenyl)methylamino]-N-propan-2-ylbenzamide is CC(C)NC(=O)c1ccc(NCc2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[(4-chlorophenyl)methylamino]-N-propan-2-ylbenzamide?
The InChIKey is QYUIFIJIXKWBHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-12(2)20-17(21)14-5-9-16(10-6-14)19-11-13-3-7-15(18)8-4-13/h3-10,12,19H,11H2,1-2H3,(H,20,21).
What are the key properties of 4-[(4-chlorophenyl)methylamino]-N-propan-2-ylbenzamide?
4-[(4-chlorophenyl)methylamino]-N-propan-2-ylbenzamide has a molecular weight of 302.81 g/mol, XLogP of 4.09, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)methylamino]-N-propan-2-ylbenzamide is sourced from PubChem (CID 60935576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).