5-bromo-N-ethyl-2-[(4-propan-2-ylphenyl)methylamino]benzamide

C19H23BrN2O — CID 18712072

IUPAC5-bromo-N-ethyl-2-[(4-propan-2-ylphenyl)methylamino]benzamide
SMILESCCNC(=O)c1cc(Br)ccc1NCc1ccc(C(C)C)cc1
InChIInChI=1S/C19H23BrN2O/c1-4-21-19(23)17-11-16(20)9-10-18(17)22-12-14-5-7-15(8-6-14)13(2)3/h5-11,13,22H,4,12H2,1-3H3,(H,21,23)
InChIKeySVVDNYUSUMBZTA-UHFFFAOYSA-N
MW375.31 g/mol
LogP4.93
Rot. Bonds6

About 5-bromo-N-ethyl-2-[(4-propan-2-ylphenyl)methylamino]benzamide

5-bromo-N-ethyl-2-[(4-propan-2-ylphenyl)methylamino]benzamide (PubChem CID 18712072) has the molecular formula C19H23BrN2O and a molecular weight of 375.31 g/mol. Its IUPAC name is 5-bromo-N-ethyl-2-[(4-propan-2-ylphenyl)methylamino]benzamide.

Molecular Properties

Compound Name5-bromo-N-ethyl-2-[(4-propan-2-ylphenyl)methylamino]benzamide
PubChem CID18712072
Molecular FormulaC19H23BrN2O
Molecular Weight375.31 g/mol
Exact Mass374.10
IUPAC Name5-bromo-N-ethyl-2-[(4-propan-2-ylphenyl)methylamino]benzamide
SMILESCCNC(=O)c1cc(Br)ccc1NCc1ccc(C(C)C)cc1
InChIInChI=1S/C19H23BrN2O/c1-4-21-19(23)17-11-16(20)9-10-18(17)22-12-14-5-7-15(8-6-14)13(2)3/h5-11,13,22H,4,12H2,1-3H3,(H,21,23)
InChIKeySVVDNYUSUMBZTA-UHFFFAOYSA-N
XLogP4.93
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.31
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-N-ethyl-2-[(4-methylsulfanylphenyl)methylamino]benzamide
CID 18712089
4-bromo-1-N,2-N-diethylbenzene-1,2-dicarboxamide
CID 119013862
5-bromo-N-ethyl-2-iodobenzamide
CID 47100033
5-bromo-2-[(4-propan-2-ylbenzoyl)amino]benzoic acid
CID 45434078
5-bromo-2-(ethylamino)benzoic acid
CID 12925315
N-(4-bromo-2-chlorophenyl)-3-(4-propan-2-ylphenyl)propanamide
CID 53267799
N-ethyl-2-fluoro-4-propan-2-ylbenzamide
CID 174350418
1-[(4-bromophenyl)methyl]-3-(4-propan-2-ylphenyl)urea
CID 108899366
5-bromo-2-(pyridin-4-ylmethylamino)benzoic acid
CID 58989767
5-bromo-2-chloro-N-[(4-methylphenyl)methyl]benzamide
CID 974886
4-[(4-bromo-2-ethylanilino)methyl]-N-methylbenzamide
CID 81287721
5-bromo-N-ethyl-2-(trifluoromethyl)benzamide
CID 146021308

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-ethyl-2-[(4-propan-2-ylphenyl)methylamino]benzamide?
The IUPAC name of 5-bromo-N-ethyl-2-[(4-propan-2-ylphenyl)methylamino]benzamide (CID 18712072) is 5-bromo-N-ethyl-2-[(4-propan-2-ylphenyl)methylamino]benzamide.
What is the SMILES notation for 5-bromo-N-ethyl-2-[(4-propan-2-ylphenyl)methylamino]benzamide?
The canonical SMILES for 5-bromo-N-ethyl-2-[(4-propan-2-ylphenyl)methylamino]benzamide is CCNC(=O)c1cc(Br)ccc1NCc1ccc(C(C)C)cc1.
What is the InChIKey of 5-bromo-N-ethyl-2-[(4-propan-2-ylphenyl)methylamino]benzamide?
The InChIKey is SVVDNYUSUMBZTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN2O/c1-4-21-19(23)17-11-16(20)9-10-18(17)22-12-14-5-7-15(8-6-14)13(2)3/h5-11,13,22H,4,12H2,1-3H3,(H,21,23).
What are the key properties of 5-bromo-N-ethyl-2-[(4-propan-2-ylphenyl)methylamino]benzamide?
5-bromo-N-ethyl-2-[(4-propan-2-ylphenyl)methylamino]benzamide has a molecular weight of 375.31 g/mol, XLogP of 4.93, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-ethyl-2-[(4-propan-2-ylphenyl)methylamino]benzamide is sourced from PubChem (CID 18712072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).