N-(4-bromo-2-chlorophenyl)-4-propoxybenzamide

C16H15BrClNO2 — CID 8863043

IUPACN-(4-bromo-2-chlorophenyl)-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)Nc2ccc(Br)cc2Cl)cc1
InChIInChI=1S/C16H15BrClNO2/c1-2-9-21-13-6-3-11(4-7-13)16(20)19-15-8-5-12(17)10-14(15)18/h3-8,10H,2,9H2,1H3,(H,19,20)
InChIKeyZSMDRXQYOUJQRN-UHFFFAOYSA-N
MW368.66 g/mol
LogP5.14
Rot. Bonds5

About N-(4-bromo-2-chlorophenyl)-4-propoxybenzamide

N-(4-bromo-2-chlorophenyl)-4-propoxybenzamide (PubChem CID 8863043) has the molecular formula C16H15BrClNO2 and a molecular weight of 368.66 g/mol. Its IUPAC name is N-(4-bromo-2-chlorophenyl)-4-propoxybenzamide.

Molecular Properties

Compound NameN-(4-bromo-2-chlorophenyl)-4-propoxybenzamide
PubChem CID8863043
Molecular FormulaC16H15BrClNO2
Molecular Weight368.66 g/mol
Exact Mass367.00
IUPAC NameN-(4-bromo-2-chlorophenyl)-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)Nc2ccc(Br)cc2Cl)cc1
InChIInChI=1S/C16H15BrClNO2/c1-2-9-21-13-6-3-11(4-7-13)16(20)19-15-8-5-12(17)10-14(15)18/h3-8,10H,2,9H2,1H3,(H,19,20)
InChIKeyZSMDRXQYOUJQRN-UHFFFAOYSA-N
XLogP5.14
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.66
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-amino-2-chlorophenyl)-4-propoxybenzamide
CID 100829816
N-(4-bromo-2-iodophenyl)-4-propoxybenzamide
CID 3888317
5-bromo-2-[(4-propoxybenzoyl)amino]benzoic acid
CID 2258349
ethyl 3-chloro-4-[(4-propoxybenzoyl)amino]benzoate
CID 92680844
[4-[(4-bromo-2-chlorophenyl)carbamoyl]phenyl] propanoate
CID 2993801
4-bromo-N-(4-bromo-2-chlorophenyl)benzamide
CID 7924398
[2-(4-bromo-2-chloroanilino)-2-oxoethyl] 4-oxo-4-(4-propoxyphenyl)butanoate
CID 55469901
4-butoxy-N-(2,4,5-trichlorophenyl)benzamide
CID 4936163
methyl 4-[(4-bromo-2-chlorophenyl)carbamoyl]benzoate
CID 26239580
N-(2-amino-4-chlorophenyl)-4-propoxybenzamide
CID 91687642
(E)-N-(4-bromo-2-chlorophenyl)-2-cyano-3-(4-propoxyphenyl)prop-2-enamide
CID 53267474
N-(3,4-dichlorophenyl)-4-propoxybenzamide
CID 4938387

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-chlorophenyl)-4-propoxybenzamide?
The IUPAC name of N-(4-bromo-2-chlorophenyl)-4-propoxybenzamide (CID 8863043) is N-(4-bromo-2-chlorophenyl)-4-propoxybenzamide.
What is the SMILES notation for N-(4-bromo-2-chlorophenyl)-4-propoxybenzamide?
The canonical SMILES for N-(4-bromo-2-chlorophenyl)-4-propoxybenzamide is CCCOc1ccc(C(=O)Nc2ccc(Br)cc2Cl)cc1.
What is the InChIKey of N-(4-bromo-2-chlorophenyl)-4-propoxybenzamide?
The InChIKey is ZSMDRXQYOUJQRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClNO2/c1-2-9-21-13-6-3-11(4-7-13)16(20)19-15-8-5-12(17)10-14(15)18/h3-8,10H,2,9H2,1H3,(H,19,20).
What are the key properties of N-(4-bromo-2-chlorophenyl)-4-propoxybenzamide?
N-(4-bromo-2-chlorophenyl)-4-propoxybenzamide has a molecular weight of 368.66 g/mol, XLogP of 5.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-chlorophenyl)-4-propoxybenzamide is sourced from PubChem (CID 8863043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).