2-amino-3-bromo-5-chloro-N-[(3,5-dimethoxyphenyl)methyl]benzamide

C16H16BrClN2O3 — CID 146371203

IUPAC2-amino-3-bromo-5-chloro-N-[(3,5-dimethoxyphenyl)methyl]benzamide
SMILESCOc1cc(CNC(=O)c2cc(Cl)cc(Br)c2N)cc(OC)c1
InChIInChI=1S/C16H16BrClN2O3/c1-22-11-3-9(4-12(7-11)23-2)8-20-16(21)13-5-10(18)6-14(17)15(13)19/h3-7H,8,19H2,1-2H3,(H,20,21)
InChIKeyVDPPVHCSNWMVHC-UHFFFAOYSA-N
MW399.67 g/mol
LogP3.63
Rot. Bonds5

About 2-amino-3-bromo-5-chloro-N-[(3,5-dimethoxyphenyl)methyl]benzamide

2-amino-3-bromo-5-chloro-N-[(3,5-dimethoxyphenyl)methyl]benzamide (PubChem CID 146371203) has the molecular formula C16H16BrClN2O3 and a molecular weight of 399.67 g/mol. Its IUPAC name is 2-amino-3-bromo-5-chloro-N-[(3,5-dimethoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name2-amino-3-bromo-5-chloro-N-[(3,5-dimethoxyphenyl)methyl]benzamide
PubChem CID146371203
Molecular FormulaC16H16BrClN2O3
Molecular Weight399.67 g/mol
Exact Mass398.00
IUPAC Name2-amino-3-bromo-5-chloro-N-[(3,5-dimethoxyphenyl)methyl]benzamide
SMILESCOc1cc(CNC(=O)c2cc(Cl)cc(Br)c2N)cc(OC)c1
InChIInChI=1S/C16H16BrClN2O3/c1-22-11-3-9(4-12(7-11)23-2)8-20-16(21)13-5-10(18)6-14(17)15(13)19/h3-7H,8,19H2,1-2H3,(H,20,21)
InChIKeyVDPPVHCSNWMVHC-UHFFFAOYSA-N
XLogP3.63
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.67
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[(3-amino-4-methoxyphenyl)methyl]-2-bromo-4-chlorobenzamide
CID 107986307
N-[(3,5-dimethoxyphenyl)methyl]-2,3,4-trifluorobenzamide
CID 110672522
2-amino-5-chloro-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 110181359
(3,5-dimethoxyphenyl)methylcarbamic acid
CID 67370524
N-[(4-chlorophenyl)methyl]-3,5-dimethoxybenzamide
CID 1335598
N-[(3,5-dimethoxyphenyl)methyl]-2-methylpropanamide
CID 22954105
N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-4-chloro-2-methoxybenzamide
CID 60611767
5-chloro-2-fluoro-N-[(3-methoxyphenyl)methyl]benzamide
CID 9088202
2,4-dibromo-N-[(3-methoxyphenyl)methyl]benzamide
CID 103882071
methyl 3-amino-2,6-dichloro-4-[(3-methoxyphenyl)methylcarbamoyl]benzoate
CID 166518762
5-amino-2-bromo-4-fluoro-N-[(3-methoxyphenyl)methyl]benzamide
CID 62816468
1-(4-chlorophenyl)-3-[(3,5-dimethoxyphenyl)methyl]urea
CID 23819690

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-bromo-5-chloro-N-[(3,5-dimethoxyphenyl)methyl]benzamide?
The IUPAC name of 2-amino-3-bromo-5-chloro-N-[(3,5-dimethoxyphenyl)methyl]benzamide (CID 146371203) is 2-amino-3-bromo-5-chloro-N-[(3,5-dimethoxyphenyl)methyl]benzamide.
What is the SMILES notation for 2-amino-3-bromo-5-chloro-N-[(3,5-dimethoxyphenyl)methyl]benzamide?
The canonical SMILES for 2-amino-3-bromo-5-chloro-N-[(3,5-dimethoxyphenyl)methyl]benzamide is COc1cc(CNC(=O)c2cc(Cl)cc(Br)c2N)cc(OC)c1.
What is the InChIKey of 2-amino-3-bromo-5-chloro-N-[(3,5-dimethoxyphenyl)methyl]benzamide?
The InChIKey is VDPPVHCSNWMVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClN2O3/c1-22-11-3-9(4-12(7-11)23-2)8-20-16(21)13-5-10(18)6-14(17)15(13)19/h3-7H,8,19H2,1-2H3,(H,20,21).
What are the key properties of 2-amino-3-bromo-5-chloro-N-[(3,5-dimethoxyphenyl)methyl]benzamide?
2-amino-3-bromo-5-chloro-N-[(3,5-dimethoxyphenyl)methyl]benzamide has a molecular weight of 399.67 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-bromo-5-chloro-N-[(3,5-dimethoxyphenyl)methyl]benzamide is sourced from PubChem (CID 146371203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).