N-(2-aminoethyl)-N-benzyl-3-chloro-4-methylbenzamide

C17H19ClN2O — CID 104859578

IUPACN-(2-aminoethyl)-N-benzyl-3-chloro-4-methylbenzamide
SMILESCc1ccc(C(=O)N(CCN)Cc2ccccc2)cc1Cl
InChIInChI=1S/C17H19ClN2O/c1-13-7-8-15(11-16(13)18)17(21)20(10-9-19)12-14-5-3-2-4-6-14/h2-8,11H,9-10,12,19H2,1H3
InChIKeyLDXJFHAZRRPEMM-UHFFFAOYSA-N
MW302.81 g/mol
LogP3.25
Rot. Bonds5

About N-(2-aminoethyl)-N-benzyl-3-chloro-4-methylbenzamide

N-(2-aminoethyl)-N-benzyl-3-chloro-4-methylbenzamide (PubChem CID 104859578) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-benzyl-3-chloro-4-methylbenzamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-benzyl-3-chloro-4-methylbenzamide
PubChem CID104859578
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC NameN-(2-aminoethyl)-N-benzyl-3-chloro-4-methylbenzamide
SMILESCc1ccc(C(=O)N(CCN)Cc2ccccc2)cc1Cl
InChIInChI=1S/C17H19ClN2O/c1-13-7-8-15(11-16(13)18)17(21)20(10-9-19)12-14-5-3-2-4-6-14/h2-8,11H,9-10,12,19H2,1H3
InChIKeyLDXJFHAZRRPEMM-UHFFFAOYSA-N
XLogP3.25
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-aminoethyl)-N-benzyl-5-fluoro-2-methylbenzamide
CID 63047882
N-(2-aminoethyl)-N-benzyl-3-iodobenzamide
CID 104859550
N'-benzyl-N'-(3-chloro-4-methylphenyl)ethane-1,2-diamine
CID 39373844
N-(3-aminopropyl)-N-benzyl-4-methylbenzamide
CID 107365954
N-benzyl-3-bromo-4-methyl-N-propylbenzamide
CID 81458013
N-(2-aminoethyl)-N-benzyl-2-chloro-4-fluorobenzamide
CID 104859477
4-amino-N-benzyl-3,5-dichloro-N-ethylbenzamide
CID 82812598
N-benzyl-N-(2-bromoethyl)-5-chloro-2-methylbenzamide
CID 82875926
N-benzyl-3-bromo-4-chloro-N-(2-chloroethyl)benzamide
CID 107993542
N-benzyl-3-bromo-4-chloro-N-(2-hydroxyethyl)benzamide
CID 103844027
N-(2-aminoethyl)-N-benzyl-2-hydroxy-5-methylbenzamide
CID 61014053
N-(2-aminoethyl)-N-benzyl-5-iodothiophene-3-carboxamide
CID 104859489

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-benzyl-3-chloro-4-methylbenzamide?
The IUPAC name of N-(2-aminoethyl)-N-benzyl-3-chloro-4-methylbenzamide (CID 104859578) is N-(2-aminoethyl)-N-benzyl-3-chloro-4-methylbenzamide.
What is the SMILES notation for N-(2-aminoethyl)-N-benzyl-3-chloro-4-methylbenzamide?
The canonical SMILES for N-(2-aminoethyl)-N-benzyl-3-chloro-4-methylbenzamide is Cc1ccc(C(=O)N(CCN)Cc2ccccc2)cc1Cl.
What is the InChIKey of N-(2-aminoethyl)-N-benzyl-3-chloro-4-methylbenzamide?
The InChIKey is LDXJFHAZRRPEMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-13-7-8-15(11-16(13)18)17(21)20(10-9-19)12-14-5-3-2-4-6-14/h2-8,11H,9-10,12,19H2,1H3.
What are the key properties of N-(2-aminoethyl)-N-benzyl-3-chloro-4-methylbenzamide?
N-(2-aminoethyl)-N-benzyl-3-chloro-4-methylbenzamide has a molecular weight of 302.81 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-benzyl-3-chloro-4-methylbenzamide is sourced from PubChem (CID 104859578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).