2-amino-N-(3-bromo-2-hydroxyphenyl)cycloheptane-1-carboxamide

C14H19BrN2O2 — CID 81496913

IUPAC2-amino-N-(3-bromo-2-hydroxyphenyl)cycloheptane-1-carboxamide
SMILESNC1CCCCCC1C(=O)Nc1cccc(Br)c1O
InChIInChI=1S/C14H19BrN2O2/c15-10-6-4-8-12(13(10)18)17-14(19)9-5-2-1-3-7-11(9)16/h4,6,8-9,11,18H,1-3,5,7,16H2,(H,17,19)
InChIKeyOUOMVQWJQHHWRZ-UHFFFAOYSA-N
MW327.22 g/mol
LogP3.00
Rot. Bonds2

About 2-amino-N-(3-bromo-2-hydroxyphenyl)cycloheptane-1-carboxamide

2-amino-N-(3-bromo-2-hydroxyphenyl)cycloheptane-1-carboxamide (PubChem CID 81496913) has the molecular formula C14H19BrN2O2 and a molecular weight of 327.22 g/mol. Its IUPAC name is 2-amino-N-(3-bromo-2-hydroxyphenyl)cycloheptane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-(3-bromo-2-hydroxyphenyl)cycloheptane-1-carboxamide
PubChem CID81496913
Molecular FormulaC14H19BrN2O2
Molecular Weight327.22 g/mol
Exact Mass326.06
IUPAC Name2-amino-N-(3-bromo-2-hydroxyphenyl)cycloheptane-1-carboxamide
SMILESNC1CCCCCC1C(=O)Nc1cccc(Br)c1O
InChIInChI=1S/C14H19BrN2O2/c15-10-6-4-8-12(13(10)18)17-14(19)9-5-2-1-3-7-11(9)16/h4,6,8-9,11,18H,1-3,5,7,16H2,(H,17,19)
InChIKeyOUOMVQWJQHHWRZ-UHFFFAOYSA-N
XLogP3.00
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(2-hydroxyphenyl)cyclopentane-1-carboxamide
CID 64852235
2-amino-N-(2-methylphenyl)cyclopentane-1-carboxamide
CID 64818336
2-amino-N-(2-iodophenyl)cyclopentane-1-carboxamide
CID 64824088
trans-(1R,2R)-2-[(2-bromophenyl)carbamoyl]cyclohexane-1-carboxylate
CID 7429966
2-amino-N-[2-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide
CID 64817726
2-amino-N-(2-methyl-3-sulfamoylphenyl)cyclopentane-1-carboxamide
CID 64823773
2-amino-N-(4-bromophenyl)cyclohexane-1-carboxamide
CID 64816780
trans-(1R,2R)-2-amino-N-phenylcyclohexane-1-carboxamide
CID 10889384
2-amino-N-(5-bromo-2-fluorophenyl)cyclohexane-1-carboxamide
CID 64824097
methyl 2-[(2-aminocyclohexanecarbonyl)amino]benzoate
CID 64822923
2-amino-N-(2-chloro-3-pyridinyl)cyclohexane-1-carboxamide
CID 64822363
2-amino-N-quinolin-5-ylcyclohexane-1-carboxamide
CID 64817918

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-bromo-2-hydroxyphenyl)cycloheptane-1-carboxamide?
The IUPAC name of 2-amino-N-(3-bromo-2-hydroxyphenyl)cycloheptane-1-carboxamide (CID 81496913) is 2-amino-N-(3-bromo-2-hydroxyphenyl)cycloheptane-1-carboxamide.
What is the SMILES notation for 2-amino-N-(3-bromo-2-hydroxyphenyl)cycloheptane-1-carboxamide?
The canonical SMILES for 2-amino-N-(3-bromo-2-hydroxyphenyl)cycloheptane-1-carboxamide is NC1CCCCCC1C(=O)Nc1cccc(Br)c1O.
What is the InChIKey of 2-amino-N-(3-bromo-2-hydroxyphenyl)cycloheptane-1-carboxamide?
The InChIKey is OUOMVQWJQHHWRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O2/c15-10-6-4-8-12(13(10)18)17-14(19)9-5-2-1-3-7-11(9)16/h4,6,8-9,11,18H,1-3,5,7,16H2,(H,17,19).
What are the key properties of 2-amino-N-(3-bromo-2-hydroxyphenyl)cycloheptane-1-carboxamide?
2-amino-N-(3-bromo-2-hydroxyphenyl)cycloheptane-1-carboxamide has a molecular weight of 327.22 g/mol, XLogP of 3.00, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-bromo-2-hydroxyphenyl)cycloheptane-1-carboxamide is sourced from PubChem (CID 81496913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).