N-[[4-(2-aminoethyl)phenyl]methyl]-4-chloro-3-methylbenzamide

C17H19ClN2O — CID 115736978

IUPACN-[[4-(2-aminoethyl)phenyl]methyl]-4-chloro-3-methylbenzamide
SMILESCc1cc(C(=O)NCc2ccc(CCN)cc2)ccc1Cl
InChIInChI=1S/C17H19ClN2O/c1-12-10-15(6-7-16(12)18)17(21)20-11-14-4-2-13(3-5-14)8-9-19/h2-7,10H,8-9,11,19H2,1H3,(H,20,21)
InChIKeyULDFRYMJTAKLEP-UHFFFAOYSA-N
MW302.81 g/mol
LogP3.08
Rot. Bonds5

About N-[[4-(2-aminoethyl)phenyl]methyl]-4-chloro-3-methylbenzamide

N-[[4-(2-aminoethyl)phenyl]methyl]-4-chloro-3-methylbenzamide (PubChem CID 115736978) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is N-[[4-(2-aminoethyl)phenyl]methyl]-4-chloro-3-methylbenzamide.

Molecular Properties

Compound NameN-[[4-(2-aminoethyl)phenyl]methyl]-4-chloro-3-methylbenzamide
PubChem CID115736978
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC NameN-[[4-(2-aminoethyl)phenyl]methyl]-4-chloro-3-methylbenzamide
SMILESCc1cc(C(=O)NCc2ccc(CCN)cc2)ccc1Cl
InChIInChI=1S/C17H19ClN2O/c1-12-10-15(6-7-16(12)18)17(21)20-11-14-4-2-13(3-5-14)8-9-19/h2-7,10H,8-9,11,19H2,1H3,(H,20,21)
InChIKeyULDFRYMJTAKLEP-UHFFFAOYSA-N
XLogP3.08
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 ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-aminoethyl)-4-chloro-3-methylbenzamide;hydrochloride
CID 119385642
N-[(4-chlorophenyl)methyl]-4-hydrazinyl-3-methylbenzamide
CID 63211678
3-amino-4-chloro-N-[(4-methylphenyl)methyl]benzamide
CID 16790226
4-chloro-N-ethyl-3-methylbenzamide
CID 18712033
N-[[4-(2-aminoethyl)phenyl]methyl]-2,4-dichlorobenzamide
CID 62502829
N-[[4-(2-aminoethyl)phenyl]methyl]-3-bromo-5-methylbenzamide
CID 115999593
N-[[4-(2-aminoethyl)phenyl]methyl]-3-bromo-5-chlorobenzamide
CID 107939840
N-[[4-(2-aminoethyl)phenyl]methyl]-2-chlorobenzamide
CID 62502652
N-[[4-(aminomethyl)phenyl]methyl]-3-chloro-4-fluorobenzamide
CID 82880028
N-[(4-carbamothioylphenyl)methyl]-3,4-dichlorobenzamide
CID 62311218
N-[(2S)-1-aminopropan-2-yl]-4-chloro-3-methylbenzamide
CID 120508709
3-(2-aminoethyl)-N-benzylbenzamide
CID 62591363

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-aminoethyl)phenyl]methyl]-4-chloro-3-methylbenzamide?
The IUPAC name of N-[[4-(2-aminoethyl)phenyl]methyl]-4-chloro-3-methylbenzamide (CID 115736978) is N-[[4-(2-aminoethyl)phenyl]methyl]-4-chloro-3-methylbenzamide.
What is the SMILES notation for N-[[4-(2-aminoethyl)phenyl]methyl]-4-chloro-3-methylbenzamide?
The canonical SMILES for N-[[4-(2-aminoethyl)phenyl]methyl]-4-chloro-3-methylbenzamide is Cc1cc(C(=O)NCc2ccc(CCN)cc2)ccc1Cl.
What is the InChIKey of N-[[4-(2-aminoethyl)phenyl]methyl]-4-chloro-3-methylbenzamide?
The InChIKey is ULDFRYMJTAKLEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-12-10-15(6-7-16(12)18)17(21)20-11-14-4-2-13(3-5-14)8-9-19/h2-7,10H,8-9,11,19H2,1H3,(H,20,21).
What are the key properties of N-[[4-(2-aminoethyl)phenyl]methyl]-4-chloro-3-methylbenzamide?
N-[[4-(2-aminoethyl)phenyl]methyl]-4-chloro-3-methylbenzamide has a molecular weight of 302.81 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-aminoethyl)phenyl]methyl]-4-chloro-3-methylbenzamide is sourced from PubChem (CID 115736978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).