N-(4-amino-3-bromophenyl)-5-chloro-2-methylbenzamide

C14H12BrClN2O — CID 82881267

IUPACN-(4-amino-3-bromophenyl)-5-chloro-2-methylbenzamide
SMILESCc1ccc(Cl)cc1C(=O)Nc1ccc(N)c(Br)c1
InChIInChI=1S/C14H12BrClN2O/c1-8-2-3-9(16)6-11(8)14(19)18-10-4-5-13(17)12(15)7-10/h2-7H,17H2,1H3,(H,18,19)
InChIKeyMFQSRQCKIWVMRY-UHFFFAOYSA-N
MW339.62 g/mol
LogP4.25
Rot. Bonds2

About N-(4-amino-3-bromophenyl)-5-chloro-2-methylbenzamide

N-(4-amino-3-bromophenyl)-5-chloro-2-methylbenzamide (PubChem CID 82881267) has the molecular formula C14H12BrClN2O and a molecular weight of 339.62 g/mol. Its IUPAC name is N-(4-amino-3-bromophenyl)-5-chloro-2-methylbenzamide.

Molecular Properties

Compound NameN-(4-amino-3-bromophenyl)-5-chloro-2-methylbenzamide
PubChem CID82881267
Molecular FormulaC14H12BrClN2O
Molecular Weight339.62 g/mol
Exact Mass337.98
IUPAC NameN-(4-amino-3-bromophenyl)-5-chloro-2-methylbenzamide
SMILESCc1ccc(Cl)cc1C(=O)Nc1ccc(N)c(Br)c1
InChIInChI=1S/C14H12BrClN2O/c1-8-2-3-9(16)6-11(8)14(19)18-10-4-5-13(17)12(15)7-10/h2-7H,17H2,1H3,(H,18,19)
InChIKeyMFQSRQCKIWVMRY-UHFFFAOYSA-N
XLogP4.25
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.62
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-chloro-N-(3-chloro-4-methylphenyl)benzamide
CID 28517056
2-amino-5-chloro-N-(4-methylphenyl)benzamide
CID 6481532
2-amino-5-chloro-N-(4-chlorophenyl)benzamide
CID 4186019
2-bromo-N-(4-bromo-3-methylphenyl)-5-chlorobenzamide
CID 113221431
N-(2-amino-5-chlorophenyl)-5-chloro-2-methylbenzamide
CID 82880207
5-[(5-chloro-2-methylbenzoyl)amino]-2-methylbenzoic acid
CID 82877012
N-(3-amino-4-bromophenyl)-5-chloro-2-hydroxybenzamide
CID 79767581
N-(3-bromo-4-fluorophenyl)-4-chloro-2-methylbenzamide
CID 114027991
N-(2-amino-5-chlorophenyl)-5-bromo-2-methylbenzamide
CID 65306711
N-(4-bromo-3-methylphenyl)-5-chloro-2-hydroxybenzamide
CID 28532000
5-[(2,5-dichlorobenzoyl)amino]-2-methylbenzoic acid
CID 63653152
2-amino-5-chloro-N-(4-propan-2-ylphenyl)benzamide
CID 6481533

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3-bromophenyl)-5-chloro-2-methylbenzamide?
The IUPAC name of N-(4-amino-3-bromophenyl)-5-chloro-2-methylbenzamide (CID 82881267) is N-(4-amino-3-bromophenyl)-5-chloro-2-methylbenzamide.
What is the SMILES notation for N-(4-amino-3-bromophenyl)-5-chloro-2-methylbenzamide?
The canonical SMILES for N-(4-amino-3-bromophenyl)-5-chloro-2-methylbenzamide is Cc1ccc(Cl)cc1C(=O)Nc1ccc(N)c(Br)c1.
What is the InChIKey of N-(4-amino-3-bromophenyl)-5-chloro-2-methylbenzamide?
The InChIKey is MFQSRQCKIWVMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClN2O/c1-8-2-3-9(16)6-11(8)14(19)18-10-4-5-13(17)12(15)7-10/h2-7H,17H2,1H3,(H,18,19).
What are the key properties of N-(4-amino-3-bromophenyl)-5-chloro-2-methylbenzamide?
N-(4-amino-3-bromophenyl)-5-chloro-2-methylbenzamide has a molecular weight of 339.62 g/mol, XLogP of 4.25, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-3-bromophenyl)-5-chloro-2-methylbenzamide is sourced from PubChem (CID 82881267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).