N-[2-(1-bromoethyl)phenyl]-4-chloro-2-hydroxybenzamide

C15H13BrClNO2 — CID 114315522

IUPACN-[2-(1-bromoethyl)phenyl]-4-chloro-2-hydroxybenzamide
SMILESCC(Br)c1ccccc1NC(=O)c1ccc(Cl)cc1O
InChIInChI=1S/C15H13BrClNO2/c1-9(16)11-4-2-3-5-13(11)18-15(20)12-7-6-10(17)8-14(12)19/h2-9,19H,1H3,(H,18,20)
InChIKeyNRYZKDZSVOTPFZ-UHFFFAOYSA-N
MW354.63 g/mol
LogP4.75
Rot. Bonds3

About N-[2-(1-bromoethyl)phenyl]-4-chloro-2-hydroxybenzamide

N-[2-(1-bromoethyl)phenyl]-4-chloro-2-hydroxybenzamide (PubChem CID 114315522) has the molecular formula C15H13BrClNO2 and a molecular weight of 354.63 g/mol. Its IUPAC name is N-[2-(1-bromoethyl)phenyl]-4-chloro-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[2-(1-bromoethyl)phenyl]-4-chloro-2-hydroxybenzamide
PubChem CID114315522
Molecular FormulaC15H13BrClNO2
Molecular Weight354.63 g/mol
Exact Mass352.98
IUPAC NameN-[2-(1-bromoethyl)phenyl]-4-chloro-2-hydroxybenzamide
SMILESCC(Br)c1ccccc1NC(=O)c1ccc(Cl)cc1O
InChIInChI=1S/C15H13BrClNO2/c1-9(16)11-4-2-3-5-13(11)18-15(20)12-7-6-10(17)8-14(12)19/h2-9,19H,1H3,(H,18,20)
InChIKeyNRYZKDZSVOTPFZ-UHFFFAOYSA-N
XLogP4.75
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.63
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(1-bromoethyl)phenyl]-5-chloro-2-fluorobenzamide
CID 114315417
4-bromo-N-[2-(1-bromoethyl)phenyl]-2-hydroxybenzamide
CID 114315530
N-[2-(1-bromoethyl)phenyl]-2-hydroxybenzamide
CID 114315539
N-[2-(1-bromoethyl)phenyl]-2-hydroxy-4-methoxybenzamide
CID 114315449
5-chloro-N-[2-(1-chloroethyl)phenyl]-2-hydroxybenzamide
CID 114304723
2,4-dichloro-N-[2-(1-hydroxyethyl)phenyl]benzamide
CID 43508509
2,5-dichloro-N-(2-propan-2-ylphenyl)benzamide
CID 966223
2-hydroxy-N-[2-(1-hydroxyethyl)phenyl]benzamide
CID 43508470
N-[2-(1-bromoethyl)phenyl]-4-methylthiophene-3-carboxamide
CID 113275866
2-[(4-chloro-2-hydroxybenzoyl)amino]-4-phenylbenzoic acid
CID 46853577
4-chloro-N-(5-chloro-2-methoxyphenyl)-2-hydroxybenzamide
CID 29286691
N-[2-(1-bromoethyl)phenyl]-2,4,6-trimethylbenzamide
CID 114315452

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-bromoethyl)phenyl]-4-chloro-2-hydroxybenzamide?
The IUPAC name of N-[2-(1-bromoethyl)phenyl]-4-chloro-2-hydroxybenzamide (CID 114315522) is N-[2-(1-bromoethyl)phenyl]-4-chloro-2-hydroxybenzamide.
What is the SMILES notation for N-[2-(1-bromoethyl)phenyl]-4-chloro-2-hydroxybenzamide?
The canonical SMILES for N-[2-(1-bromoethyl)phenyl]-4-chloro-2-hydroxybenzamide is CC(Br)c1ccccc1NC(=O)c1ccc(Cl)cc1O.
What is the InChIKey of N-[2-(1-bromoethyl)phenyl]-4-chloro-2-hydroxybenzamide?
The InChIKey is NRYZKDZSVOTPFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClNO2/c1-9(16)11-4-2-3-5-13(11)18-15(20)12-7-6-10(17)8-14(12)19/h2-9,19H,1H3,(H,18,20).
What are the key properties of N-[2-(1-bromoethyl)phenyl]-4-chloro-2-hydroxybenzamide?
N-[2-(1-bromoethyl)phenyl]-4-chloro-2-hydroxybenzamide has a molecular weight of 354.63 g/mol, XLogP of 4.75, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-bromoethyl)phenyl]-4-chloro-2-hydroxybenzamide is sourced from PubChem (CID 114315522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).