N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-3-chloro-4-hydroxybenzamide

C16H14BrClN2O3 — CID 75416940

IUPACN-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-3-chloro-4-hydroxybenzamide
SMILESNC(=O)CN(Cc1ccc(Br)cc1)C(=O)c1ccc(O)c(Cl)c1
InChIInChI=1S/C16H14BrClN2O3/c17-12-4-1-10(2-5-12)8-20(9-15(19)22)16(23)11-3-6-14(21)13(18)7-11/h1-7,21H,8-9H2,(H2,19,22)
InChIKeyOHVWPUSQOULYJC-UHFFFAOYSA-N
MW397.66 g/mol
LogP2.94
Rot. Bonds5

About N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-3-chloro-4-hydroxybenzamide

N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-3-chloro-4-hydroxybenzamide (PubChem CID 75416940) has the molecular formula C16H14BrClN2O3 and a molecular weight of 397.66 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-3-chloro-4-hydroxybenzamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-3-chloro-4-hydroxybenzamide
PubChem CID75416940
Molecular FormulaC16H14BrClN2O3
Molecular Weight397.66 g/mol
Exact Mass395.99
IUPAC NameN-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-3-chloro-4-hydroxybenzamide
SMILESNC(=O)CN(Cc1ccc(Br)cc1)C(=O)c1ccc(O)c(Cl)c1
InChIInChI=1S/C16H14BrClN2O3/c17-12-4-1-10(2-5-12)8-20(9-15(19)22)16(23)11-3-6-14(21)13(18)7-11/h1-7,21H,8-9H2,(H2,19,22)
InChIKeyOHVWPUSQOULYJC-UHFFFAOYSA-N
XLogP2.94
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.66
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]naphthalene-2-carboxamide
CID 71892511
N-(2-amino-2-oxoethyl)-3-chloro-4-hydroxy-N-propan-2-ylbenzamide
CID 54943086
N-[(4-bromophenyl)methyl]-3,4-dichloro-N-methylbenzamide
CID 60628401
N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]cyclopropanecarboxamide
CID 60912130
2-amino-N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-2-methylpropanamide
CID 61264658
2-[(2-amino-2-oxoethyl)-(3,4-dihydroxybenzoyl)amino]acetic acid
CID 107728235
2-[(4-bromophenyl)methyl-(2-methoxyacetyl)amino]acetamide
CID 47374439
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-chloro-4-hydroxy-N-methylbenzamide
CID 18271169
2-amino-N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-3-methylpentanamide
CID 60963304
N-(2-amino-2-oxoethyl)-N-benzyl-2-(4-bromo-2-hydroxyphenyl)acetamide
CID 167781208
3-amino-N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-2-methoxypropanamide
CID 106112171
N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-3,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide
CID 71886930

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-3-chloro-4-hydroxybenzamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-3-chloro-4-hydroxybenzamide (CID 75416940) is N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-3-chloro-4-hydroxybenzamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-3-chloro-4-hydroxybenzamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-3-chloro-4-hydroxybenzamide is NC(=O)CN(Cc1ccc(Br)cc1)C(=O)c1ccc(O)c(Cl)c1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-3-chloro-4-hydroxybenzamide?
The InChIKey is OHVWPUSQOULYJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrClN2O3/c17-12-4-1-10(2-5-12)8-20(9-15(19)22)16(23)11-3-6-14(21)13(18)7-11/h1-7,21H,8-9H2,(H2,19,22).
What are the key properties of N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-3-chloro-4-hydroxybenzamide?
N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-3-chloro-4-hydroxybenzamide has a molecular weight of 397.66 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-3-chloro-4-hydroxybenzamide is sourced from PubChem (CID 75416940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).