3-chloro-4-[(2-phenylpropylamino)methyl]benzamide

C17H19ClN2O — CID 102665041

IUPAC3-chloro-4-[(2-phenylpropylamino)methyl]benzamide
SMILESCC(CNCc1ccc(C(N)=O)cc1Cl)c1ccccc1
InChIInChI=1S/C17H19ClN2O/c1-12(13-5-3-2-4-6-13)10-20-11-15-8-7-14(17(19)21)9-16(15)18/h2-9,12,20H,10-11H2,1H3,(H2,19,21)
InChIKeyYATSWOLUVSGCQD-UHFFFAOYSA-N
MW302.81 g/mol
LogP3.33
Rot. Bonds6

About 3-chloro-4-[(2-phenylpropylamino)methyl]benzamide

3-chloro-4-[(2-phenylpropylamino)methyl]benzamide (PubChem CID 102665041) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is 3-chloro-4-[(2-phenylpropylamino)methyl]benzamide.

Molecular Properties

Compound Name3-chloro-4-[(2-phenylpropylamino)methyl]benzamide
PubChem CID102665041
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC Name3-chloro-4-[(2-phenylpropylamino)methyl]benzamide
SMILESCC(CNCc1ccc(C(N)=O)cc1Cl)c1ccccc1
InChIInChI=1S/C17H19ClN2O/c1-12(13-5-3-2-4-6-13)10-20-11-15-8-7-14(17(19)21)9-16(15)18/h2-9,12,20H,10-11H2,1H3,(H2,19,21)
InChIKeyYATSWOLUVSGCQD-UHFFFAOYSA-N
XLogP3.33
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-chloro-4-methylphenyl)methyl]-2-phenylpropan-1-amine
CID 106863140
3-chloro-4-[(3-hydroxybutylamino)methyl]benzamide
CID 102664624
3-chloro-4-[[2-(2-methylpropoxy)ethylamino]methyl]benzamide
CID 102665152
3-chloro-4-[(pentylamino)methyl]benzamide
CID 102663787
3-chloro-4-[[1-(4-chlorophenyl)ethylamino]methyl]benzamide
CID 102664284
3-chloro-4-[(3-methylsulfinylpropylamino)methyl]benzamide
CID 102665106
3-chloro-4-[2-(dimethylamino)-3-[(4-methyl-3-phenylpentanoyl)amino]propyl]benzamide
CID 175526077
3-chloro-4-[(2S)-2-(dimethylamino)-3-[[(3R)-4-methyl-3-phenylpentanoyl]amino]propyl]benzamide
CID 165405406
3-chloro-4-[[(1-hydroxy-3-methylbutan-2-yl)amino]methyl]benzamide
CID 102664727
4-[(but-3-en-2-ylamino)methyl]-3-chlorobenzamide
CID 102665091
2-(2,4-dichlorophenyl)-N-[(2S)-2-phenylpropyl]acetamide
CID 9302274
3-chloro-4-[(2-methylanilino)methyl]benzamide
CID 102663959

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[(2-phenylpropylamino)methyl]benzamide?
The IUPAC name of 3-chloro-4-[(2-phenylpropylamino)methyl]benzamide (CID 102665041) is 3-chloro-4-[(2-phenylpropylamino)methyl]benzamide.
What is the SMILES notation for 3-chloro-4-[(2-phenylpropylamino)methyl]benzamide?
The canonical SMILES for 3-chloro-4-[(2-phenylpropylamino)methyl]benzamide is CC(CNCc1ccc(C(N)=O)cc1Cl)c1ccccc1.
What is the InChIKey of 3-chloro-4-[(2-phenylpropylamino)methyl]benzamide?
The InChIKey is YATSWOLUVSGCQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-12(13-5-3-2-4-6-13)10-20-11-15-8-7-14(17(19)21)9-16(15)18/h2-9,12,20H,10-11H2,1H3,(H2,19,21).
What are the key properties of 3-chloro-4-[(2-phenylpropylamino)methyl]benzamide?
3-chloro-4-[(2-phenylpropylamino)methyl]benzamide has a molecular weight of 302.81 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[(2-phenylpropylamino)methyl]benzamide is sourced from PubChem (CID 102665041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).