N-(4-amino-2-bromophenyl)-3,5-dichloro-4-methoxybenzamide

C14H11BrCl2N2O2 — CID 100829828

IUPACN-(4-amino-2-bromophenyl)-3,5-dichloro-4-methoxybenzamide
SMILESCOc1c(Cl)cc(C(=O)Nc2ccc(N)cc2Br)cc1Cl
InChIInChI=1S/C14H11BrCl2N2O2/c1-21-13-10(16)4-7(5-11(13)17)14(20)19-12-3-2-8(18)6-9(12)15/h2-6H,18H2,1H3,(H,19,20)
InChIKeyZLWNNAFEROCAQU-UHFFFAOYSA-N
MW390.06 g/mol
LogP4.60
Rot. Bonds3

About N-(4-amino-2-bromophenyl)-3,5-dichloro-4-methoxybenzamide

N-(4-amino-2-bromophenyl)-3,5-dichloro-4-methoxybenzamide (PubChem CID 100829828) has the molecular formula C14H11BrCl2N2O2 and a molecular weight of 390.06 g/mol. Its IUPAC name is N-(4-amino-2-bromophenyl)-3,5-dichloro-4-methoxybenzamide.

Molecular Properties

Compound NameN-(4-amino-2-bromophenyl)-3,5-dichloro-4-methoxybenzamide
PubChem CID100829828
Molecular FormulaC14H11BrCl2N2O2
Molecular Weight390.06 g/mol
Exact Mass387.94
IUPAC NameN-(4-amino-2-bromophenyl)-3,5-dichloro-4-methoxybenzamide
SMILESCOc1c(Cl)cc(C(=O)Nc2ccc(N)cc2Br)cc1Cl
InChIInChI=1S/C14H11BrCl2N2O2/c1-21-13-10(16)4-7(5-11(13)17)14(20)19-12-3-2-8(18)6-9(12)15/h2-6H,18H2,1H3,(H,19,20)
InChIKeyZLWNNAFEROCAQU-UHFFFAOYSA-N
XLogP4.60
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.06
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(5-amino-2-methoxyphenyl)-3,5-dichloro-4-methoxybenzamide
CID 50883336
N-(4-amino-2-bromophenyl)-3,5-dimethoxybenzamide
CID 43549583
N-(4-amino-2-bromophenyl)-3-chloro-4-methylbenzamide
CID 63194298
N-(4-amino-2-bromophenyl)-3,4-dimethoxybenzamide
CID 43549544
N-(2-amino-5-chloro-4-methylphenyl)-3,5-dichloro-4-methoxybenzamide
CID 91687685
N-(4-amino-2-methylphenyl)-4-bromo-3-chlorobenzamide
CID 81290329
5-amino-N-(2-bromo-4-chlorophenyl)-2-methoxybenzamide
CID 81262169
N-(4-amino-2-bromophenyl)-5-methylfuran-3-carboxamide
CID 114818644
4-chloro-3-[(3,5-dichloro-4-methoxybenzoyl)amino]benzoic acid
CID 28673811
N-[4-(carbamoylamino)phenyl]-3,5-dichloro-4-methoxybenzamide
CID 33153788
N-(4-amino-2-chlorophenyl)-3-bromo-4-methylbenzamide
CID 81470767
N-[5-amino-2-[(2R)-2-methylpiperidin-1-yl]phenyl]-3,5-dichloro-4-methoxybenzamide
CID 100803251

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-bromophenyl)-3,5-dichloro-4-methoxybenzamide?
The IUPAC name of N-(4-amino-2-bromophenyl)-3,5-dichloro-4-methoxybenzamide (CID 100829828) is N-(4-amino-2-bromophenyl)-3,5-dichloro-4-methoxybenzamide.
What is the SMILES notation for N-(4-amino-2-bromophenyl)-3,5-dichloro-4-methoxybenzamide?
The canonical SMILES for N-(4-amino-2-bromophenyl)-3,5-dichloro-4-methoxybenzamide is COc1c(Cl)cc(C(=O)Nc2ccc(N)cc2Br)cc1Cl.
What is the InChIKey of N-(4-amino-2-bromophenyl)-3,5-dichloro-4-methoxybenzamide?
The InChIKey is ZLWNNAFEROCAQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrCl2N2O2/c1-21-13-10(16)4-7(5-11(13)17)14(20)19-12-3-2-8(18)6-9(12)15/h2-6H,18H2,1H3,(H,19,20).
What are the key properties of N-(4-amino-2-bromophenyl)-3,5-dichloro-4-methoxybenzamide?
N-(4-amino-2-bromophenyl)-3,5-dichloro-4-methoxybenzamide has a molecular weight of 390.06 g/mol, XLogP of 4.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-bromophenyl)-3,5-dichloro-4-methoxybenzamide is sourced from PubChem (CID 100829828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).