3-(4-bromoanilino)-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide

C17H18BrClN2O2 — CID 109039271

IUPAC3-(4-bromoanilino)-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)CCNc1ccc(Br)cc1
InChIInChI=1S/C17H18BrClN2O2/c1-11-9-15(16(23-2)10-14(11)19)21-17(22)7-8-20-13-5-3-12(18)4-6-13/h3-6,9-10,20H,7-8H2,1-2H3,(H,21,22)
InChIKeyGKNBHZCYOJFHRJ-UHFFFAOYSA-N
MW397.70 g/mol
LogP4.86
Rot. Bonds6

About 3-(4-bromoanilino)-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide

3-(4-bromoanilino)-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide (PubChem CID 109039271) has the molecular formula C17H18BrClN2O2 and a molecular weight of 397.70 g/mol. Its IUPAC name is 3-(4-bromoanilino)-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(4-bromoanilino)-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide
PubChem CID109039271
Molecular FormulaC17H18BrClN2O2
Molecular Weight397.70 g/mol
Exact Mass396.02
IUPAC Name3-(4-bromoanilino)-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)CCNc1ccc(Br)cc1
InChIInChI=1S/C17H18BrClN2O2/c1-11-9-15(16(23-2)10-14(11)19)21-17(22)7-8-20-13-5-3-12(18)4-6-13/h3-6,9-10,20H,7-8H2,1-2H3,(H,21,22)
InChIKeyGKNBHZCYOJFHRJ-UHFFFAOYSA-N
XLogP4.86
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.70
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chloro-2-methoxy-5-methylanilino)-N-(3-chloro-4-methoxyphenyl)propanamide
CID 109039005
N-(4-chloro-2-methoxy-5-methylphenyl)-3-(2,5-dichloroanilino)propanamide
CID 109042672
3-(4-chloro-2-methoxy-5-methylanilino)-N-(5-chloro-2-methylphenyl)propanamide
CID 109038425
N-(4-chloro-2-methoxy-5-methylphenyl)-4-(4-nitroanilino)butanamide
CID 29354551
3-(4-chloro-2-methoxy-5-methylanilino)-N-(4-propan-2-ylphenyl)propanamide
CID 109036891
3-(4-bromoanilino)-N-(2-methoxyphenyl)propanamide
CID 109039232
N-(4-chloro-2,5-dimethoxyphenyl)-3-(3-methylanilino)propanamide
CID 109034321
3-(3-chloro-4-methylanilino)-N-(2,5-dimethoxyphenyl)propanamide
CID 109038680
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3,4-difluoroanilino)acetamide
CID 109011257
N-(4-chloro-2-methoxy-5-methylphenyl)-4-oxopentanamide
CID 60637672
3-(4-chloro-2-methoxy-5-methylanilino)-N-(3-chlorophenyl)propanamide
CID 109038015
2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 40987640

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromoanilino)-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide?
The IUPAC name of 3-(4-bromoanilino)-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide (CID 109039271) is 3-(4-bromoanilino)-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide.
What is the SMILES notation for 3-(4-bromoanilino)-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide?
The canonical SMILES for 3-(4-bromoanilino)-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide is COc1cc(Cl)c(C)cc1NC(=O)CCNc1ccc(Br)cc1.
What is the InChIKey of 3-(4-bromoanilino)-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide?
The InChIKey is GKNBHZCYOJFHRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrClN2O2/c1-11-9-15(16(23-2)10-14(11)19)21-17(22)7-8-20-13-5-3-12(18)4-6-13/h3-6,9-10,20H,7-8H2,1-2H3,(H,21,22).
What are the key properties of 3-(4-bromoanilino)-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide?
3-(4-bromoanilino)-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide has a molecular weight of 397.70 g/mol, XLogP of 4.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromoanilino)-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide is sourced from PubChem (CID 109039271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).