N-(2-chloro-5-methylphenyl)-4-(ethylamino)-3-methylbenzamide

C17H19ClN2O — CID 107631262

IUPACN-(2-chloro-5-methylphenyl)-4-(ethylamino)-3-methylbenzamide
SMILESCCNc1ccc(C(=O)Nc2cc(C)ccc2Cl)cc1C
InChIInChI=1S/C17H19ClN2O/c1-4-19-15-8-6-13(10-12(15)3)17(21)20-16-9-11(2)5-7-14(16)18/h5-10,19H,4H2,1-3H3,(H,20,21)
InChIKeyRRWVOVAEWHMPKG-UHFFFAOYSA-N
MW302.81 g/mol
LogP4.64
Rot. Bonds4

About N-(2-chloro-5-methylphenyl)-4-(ethylamino)-3-methylbenzamide

N-(2-chloro-5-methylphenyl)-4-(ethylamino)-3-methylbenzamide (PubChem CID 107631262) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is N-(2-chloro-5-methylphenyl)-4-(ethylamino)-3-methylbenzamide.

Molecular Properties

Compound NameN-(2-chloro-5-methylphenyl)-4-(ethylamino)-3-methylbenzamide
PubChem CID107631262
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC NameN-(2-chloro-5-methylphenyl)-4-(ethylamino)-3-methylbenzamide
SMILESCCNc1ccc(C(=O)Nc2cc(C)ccc2Cl)cc1C
InChIInChI=1S/C17H19ClN2O/c1-4-19-15-8-6-13(10-12(15)3)17(21)20-16-9-11(2)5-7-14(16)18/h5-10,19H,4H2,1-3H3,(H,20,21)
InChIKeyRRWVOVAEWHMPKG-UHFFFAOYSA-N
XLogP4.64
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,5-dichlorophenyl)-4-(ethylamino)-3-methylbenzamide
CID 63501283
1-N,3-N-bis(2-chloro-5-methylphenyl)benzene-1,3-dicarboxamide
CID 4179240
4-(ethylamino)-N-(3-fluoro-5-methylphenyl)-3-methylbenzamide
CID 79046684
N-(2-chloro-5-methylphenyl)-3,4-dihydroxybenzamide
CID 103957548
N-(2,6-dimethylphenyl)-4-(ethylamino)-3-methylbenzamide
CID 63210459
N-(2-chloro-5-fluorophenyl)-2-(ethylamino)-5-methylbenzamide
CID 107531156
3-amino-4-chloro-N-(2,4-dimethylphenyl)benzamide
CID 16782790
N-(3,4-dimethylphenyl)-4-(ethylamino)-3-methylbenzamide
CID 63209750
4-amino-N-(2-chloro-5-methylphenyl)-3-hydroxybenzamide
CID 107624052
4-(ethylamino)-3-methyl-N-(2-methyl-3-pyridinyl)benzamide
CID 79043080
3-chloro-N-(2-chloro-5-methylphenyl)-6-(ethylamino)pyridine-2-carboxamide
CID 107631276
4-(ethylamino)-3-methyl-N-thiophen-3-ylbenzamide
CID 66354623

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-methylphenyl)-4-(ethylamino)-3-methylbenzamide?
The IUPAC name of N-(2-chloro-5-methylphenyl)-4-(ethylamino)-3-methylbenzamide (CID 107631262) is N-(2-chloro-5-methylphenyl)-4-(ethylamino)-3-methylbenzamide.
What is the SMILES notation for N-(2-chloro-5-methylphenyl)-4-(ethylamino)-3-methylbenzamide?
The canonical SMILES for N-(2-chloro-5-methylphenyl)-4-(ethylamino)-3-methylbenzamide is CCNc1ccc(C(=O)Nc2cc(C)ccc2Cl)cc1C.
What is the InChIKey of N-(2-chloro-5-methylphenyl)-4-(ethylamino)-3-methylbenzamide?
The InChIKey is RRWVOVAEWHMPKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-4-19-15-8-6-13(10-12(15)3)17(21)20-16-9-11(2)5-7-14(16)18/h5-10,19H,4H2,1-3H3,(H,20,21).
What are the key properties of N-(2-chloro-5-methylphenyl)-4-(ethylamino)-3-methylbenzamide?
N-(2-chloro-5-methylphenyl)-4-(ethylamino)-3-methylbenzamide has a molecular weight of 302.81 g/mol, XLogP of 4.64, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-methylphenyl)-4-(ethylamino)-3-methylbenzamide is sourced from PubChem (CID 107631262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).