N-(3-bromo-5-methylphenyl)-5-chloro-2-(ethylamino)benzamide

C16H16BrClN2O — CID 107578576

IUPACN-(3-bromo-5-methylphenyl)-5-chloro-2-(ethylamino)benzamide
SMILESCCNc1ccc(Cl)cc1C(=O)Nc1cc(C)cc(Br)c1
InChIInChI=1S/C16H16BrClN2O/c1-3-19-15-5-4-12(18)9-14(15)16(21)20-13-7-10(2)6-11(17)8-13/h4-9,19H,3H2,1-2H3,(H,20,21)
InChIKeyLRMUEHXSTJSTOV-UHFFFAOYSA-N
MW367.67 g/mol
LogP5.10
Rot. Bonds4

About N-(3-bromo-5-methylphenyl)-5-chloro-2-(ethylamino)benzamide

N-(3-bromo-5-methylphenyl)-5-chloro-2-(ethylamino)benzamide (PubChem CID 107578576) has the molecular formula C16H16BrClN2O and a molecular weight of 367.67 g/mol. Its IUPAC name is N-(3-bromo-5-methylphenyl)-5-chloro-2-(ethylamino)benzamide.

Molecular Properties

Compound NameN-(3-bromo-5-methylphenyl)-5-chloro-2-(ethylamino)benzamide
PubChem CID107578576
Molecular FormulaC16H16BrClN2O
Molecular Weight367.67 g/mol
Exact Mass366.01
IUPAC NameN-(3-bromo-5-methylphenyl)-5-chloro-2-(ethylamino)benzamide
SMILESCCNc1ccc(Cl)cc1C(=O)Nc1cc(C)cc(Br)c1
InChIInChI=1S/C16H16BrClN2O/c1-3-19-15-5-4-12(18)9-14(15)16(21)20-13-7-10(2)6-11(17)8-13/h4-9,19H,3H2,1-2H3,(H,20,21)
InChIKeyLRMUEHXSTJSTOV-UHFFFAOYSA-N
XLogP5.10
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.67
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-bromo-5-methylphenyl)-5-chloro-2-(methylamino)benzamide
CID 107578575
5-chloro-2-(ethylamino)-N-(4-methylphenyl)benzamide
CID 62165915
5-chloro-N-(4-chlorophenyl)-2-(ethylamino)benzamide
CID 63501473
5-chloro-N-(3,5-dimethylphenyl)-2-(methylamino)benzamide
CID 62165706
5-chloro-2-(ethylamino)-N-(2-fluoro-5-methylphenyl)benzamide
CID 62166155
N-(5-bromo-3-methyl-2-pyridinyl)-5-chloro-2-(ethylamino)benzamide
CID 83167924
5-chloro-2-(ethylamino)-N-(4-methoxyphenyl)benzamide
CID 62171434
5-chloro-N-(4-cyanophenyl)-2-(ethylamino)benzamide
CID 62166224
5-chloro-N-(4,6-dimethylpyrimidin-2-yl)-2-(ethylamino)benzamide
CID 62185060
5-chloro-2-(ethylamino)-N-(4-methyl-2-pyridinyl)benzamide
CID 62165937
2,5-dichloro-N-(3,5-dimethylphenyl)benzamide
CID 965625
N-(3-bromo-5-methylphenyl)-5-methyl-2-(methylamino)benzamide
CID 107578496

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-methylphenyl)-5-chloro-2-(ethylamino)benzamide?
The IUPAC name of N-(3-bromo-5-methylphenyl)-5-chloro-2-(ethylamino)benzamide (CID 107578576) is N-(3-bromo-5-methylphenyl)-5-chloro-2-(ethylamino)benzamide.
What is the SMILES notation for N-(3-bromo-5-methylphenyl)-5-chloro-2-(ethylamino)benzamide?
The canonical SMILES for N-(3-bromo-5-methylphenyl)-5-chloro-2-(ethylamino)benzamide is CCNc1ccc(Cl)cc1C(=O)Nc1cc(C)cc(Br)c1.
What is the InChIKey of N-(3-bromo-5-methylphenyl)-5-chloro-2-(ethylamino)benzamide?
The InChIKey is LRMUEHXSTJSTOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClN2O/c1-3-19-15-5-4-12(18)9-14(15)16(21)20-13-7-10(2)6-11(17)8-13/h4-9,19H,3H2,1-2H3,(H,20,21).
What are the key properties of N-(3-bromo-5-methylphenyl)-5-chloro-2-(ethylamino)benzamide?
N-(3-bromo-5-methylphenyl)-5-chloro-2-(ethylamino)benzamide has a molecular weight of 367.67 g/mol, XLogP of 5.10, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-5-methylphenyl)-5-chloro-2-(ethylamino)benzamide is sourced from PubChem (CID 107578576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).