2-chloro-4-[1-(4-methylphenyl)propylamino]benzamide

C17H19ClN2O — CID 43736529

IUPAC2-chloro-4-[1-(4-methylphenyl)propylamino]benzamide
SMILESCCC(Nc1ccc(C(N)=O)c(Cl)c1)c1ccc(C)cc1
InChIInChI=1S/C17H19ClN2O/c1-3-16(12-6-4-11(2)5-7-12)20-13-8-9-14(17(19)21)15(18)10-13/h4-10,16,20H,3H2,1-2H3,(H2,19,21)
InChIKeyNBMXRUMFUMFJTO-UHFFFAOYSA-N
MW302.81 g/mol
LogP4.31
Rot. Bonds5

About 2-chloro-4-[1-(4-methylphenyl)propylamino]benzamide

2-chloro-4-[1-(4-methylphenyl)propylamino]benzamide (PubChem CID 43736529) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is 2-chloro-4-[1-(4-methylphenyl)propylamino]benzamide.

Molecular Properties

Compound Name2-chloro-4-[1-(4-methylphenyl)propylamino]benzamide
PubChem CID43736529
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC Name2-chloro-4-[1-(4-methylphenyl)propylamino]benzamide
SMILESCCC(Nc1ccc(C(N)=O)c(Cl)c1)c1ccc(C)cc1
InChIInChI=1S/C17H19ClN2O/c1-3-16(12-6-4-11(2)5-7-12)20-13-8-9-14(17(19)21)15(18)10-13/h4-10,16,20H,3H2,1-2H3,(H2,19,21)
InChIKeyNBMXRUMFUMFJTO-UHFFFAOYSA-N
XLogP4.31
TPSA55.12 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 ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-4-[1-(3-chlorophenyl)propylamino]benzamide
CID 43736518
4-(butan-2-ylamino)-2-chlorobenzamide
CID 43736488
N-[1-(3,4-dichlorophenyl)propyl]-4-methylaniline
CID 43765753
5-[1-(4-bromophenyl)propylamino]-2-fluorobenzamide
CID 43705157
2-chloro-4-(2-methylpropylamino)benzamide
CID 43736438
2-chloro-4-[1-(4-methylphenyl)ethylamino]benzoic acid
CID 62945610
4-[[2-(butan-2-ylamino)acetyl]amino]-2-chlorobenzamide
CID 54925002
3-chloro-N-[1-(4-chlorophenyl)propyl]-4-fluoroaniline
CID 43119213
3-chloro-N-[1-(4-fluorophenyl)propyl]-4-methylaniline
CID 43104292
[4-[1-(4-chlorophenyl)propylamino]phenyl]urea
CID 43745000
N-[1-(4-bromophenyl)propyl]-3-chloro-4-methylaniline
CID 43111547
ethyl 2-chloro-4-[1-(4-methylphenyl)ethylcarbamothioylamino]benzoate
CID 133215297

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[1-(4-methylphenyl)propylamino]benzamide?
The IUPAC name of 2-chloro-4-[1-(4-methylphenyl)propylamino]benzamide (CID 43736529) is 2-chloro-4-[1-(4-methylphenyl)propylamino]benzamide.
What is the SMILES notation for 2-chloro-4-[1-(4-methylphenyl)propylamino]benzamide?
The canonical SMILES for 2-chloro-4-[1-(4-methylphenyl)propylamino]benzamide is CCC(Nc1ccc(C(N)=O)c(Cl)c1)c1ccc(C)cc1.
What is the InChIKey of 2-chloro-4-[1-(4-methylphenyl)propylamino]benzamide?
The InChIKey is NBMXRUMFUMFJTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-3-16(12-6-4-11(2)5-7-12)20-13-8-9-14(17(19)21)15(18)10-13/h4-10,16,20H,3H2,1-2H3,(H2,19,21).
What are the key properties of 2-chloro-4-[1-(4-methylphenyl)propylamino]benzamide?
2-chloro-4-[1-(4-methylphenyl)propylamino]benzamide has a molecular weight of 302.81 g/mol, XLogP of 4.31, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[1-(4-methylphenyl)propylamino]benzamide is sourced from PubChem (CID 43736529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).