[4-[(5-bromothiophen-2-yl)methylamino]-2-chlorophenyl]carbamic acid

C12H10BrClN2O2S — CID 141181051

IUPAC[4-[(5-bromothiophen-2-yl)methylamino]-2-chlorophenyl]carbamic acid
SMILESO=C(O)Nc1ccc(NCc2ccc(Br)s2)cc1Cl
InChIInChI=1S/C12H10BrClN2O2S/c13-11-4-2-8(19-11)6-15-7-1-3-10(9(14)5-7)16-12(17)18/h1-5,15-16H,6H2,(H,17,18)
InChIKeyVQLDDWCLQZOAET-UHFFFAOYSA-N
MW361.65 g/mol
LogP4.87
Rot. Bonds4

About [4-[(5-bromothiophen-2-yl)methylamino]-2-chlorophenyl]carbamic acid

[4-[(5-bromothiophen-2-yl)methylamino]-2-chlorophenyl]carbamic acid (PubChem CID 141181051) has the molecular formula C12H10BrClN2O2S and a molecular weight of 361.65 g/mol. Its IUPAC name is [4-[(5-bromothiophen-2-yl)methylamino]-2-chlorophenyl]carbamic acid.

Molecular Properties

Compound Name[4-[(5-bromothiophen-2-yl)methylamino]-2-chlorophenyl]carbamic acid
PubChem CID141181051
Molecular FormulaC12H10BrClN2O2S
Molecular Weight361.65 g/mol
Exact Mass359.93
IUPAC Name[4-[(5-bromothiophen-2-yl)methylamino]-2-chlorophenyl]carbamic acid
SMILESO=C(O)Nc1ccc(NCc2ccc(Br)s2)cc1Cl
InChIInChI=1S/C12H10BrClN2O2S/c13-11-4-2-8(19-11)6-15-7-1-3-10(9(14)5-7)16-12(17)18/h1-5,15-16H,6H2,(H,17,18)
InChIKeyVQLDDWCLQZOAET-UHFFFAOYSA-N
XLogP4.87
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.65
LogP ≤ 54.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(5-bromothiophen-2-yl)methylamino]-2-chlorophenyl]acetamide
CID 43690201
1-[2-amino-5-[(5-bromothiophen-2-yl)methylamino]phenyl]ethanone
CID 113433041
5-[(5-bromothiophen-2-yl)methylamino]pyridine-2-carboxylic acid
CID 115490955
N-[4-[(2-bromo-4-methylphenyl)methylamino]-2-chlorophenyl]acetamide
CID 115556688
methyl 2-[(5-bromothiophen-2-yl)methylamino]-5-chlorobenzoate
CID 43678811
N-[(5-bromothiophen-2-yl)methyl]-2,4,6-trichloroaniline
CID 28992400
N-[3-[(5-bromothiophen-2-yl)methylamino]-4-methoxyphenyl]acetamide
CID 43715753
4-[(5-bromothiophen-2-yl)methylamino]-3-methylbenzamide
CID 43706863
N-[2-chloro-4-[(5-methylfuran-2-yl)methylamino]phenyl]acetamide
CID 43690180
2-chloro-4-[(5-ethylthiophen-2-yl)methylamino]benzamide
CID 62346089
3-[(5-bromothiophen-2-yl)methylamino]-N,4-dimethylbenzamide
CID 43726901
3-[(5-bromothiophen-2-yl)methylamino]-N,N-dimethylbenzamide
CID 43725444

Frequently Asked Questions

What is the IUPAC name of [4-[(5-bromothiophen-2-yl)methylamino]-2-chlorophenyl]carbamic acid?
The IUPAC name of [4-[(5-bromothiophen-2-yl)methylamino]-2-chlorophenyl]carbamic acid (CID 141181051) is [4-[(5-bromothiophen-2-yl)methylamino]-2-chlorophenyl]carbamic acid.
What is the SMILES notation for [4-[(5-bromothiophen-2-yl)methylamino]-2-chlorophenyl]carbamic acid?
The canonical SMILES for [4-[(5-bromothiophen-2-yl)methylamino]-2-chlorophenyl]carbamic acid is O=C(O)Nc1ccc(NCc2ccc(Br)s2)cc1Cl.
What is the InChIKey of [4-[(5-bromothiophen-2-yl)methylamino]-2-chlorophenyl]carbamic acid?
The InChIKey is VQLDDWCLQZOAET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClN2O2S/c13-11-4-2-8(19-11)6-15-7-1-3-10(9(14)5-7)16-12(17)18/h1-5,15-16H,6H2,(H,17,18).
What are the key properties of [4-[(5-bromothiophen-2-yl)methylamino]-2-chlorophenyl]carbamic acid?
[4-[(5-bromothiophen-2-yl)methylamino]-2-chlorophenyl]carbamic acid has a molecular weight of 361.65 g/mol, XLogP of 4.87, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(5-bromothiophen-2-yl)methylamino]-2-chlorophenyl]carbamic acid is sourced from PubChem (CID 141181051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).