2-amino-N-(3-chloro-4-hydroxyphenyl)cycloheptane-1-carboxamide

C14H19ClN2O2 — CID 107679949

IUPAC2-amino-N-(3-chloro-4-hydroxyphenyl)cycloheptane-1-carboxamide
SMILESNC1CCCCCC1C(=O)Nc1ccc(O)c(Cl)c1
InChIInChI=1S/C14H19ClN2O2/c15-11-8-9(6-7-13(11)18)17-14(19)10-4-2-1-3-5-12(10)16/h6-8,10,12,18H,1-5,16H2,(H,17,19)
InChIKeyVBYINIMRURKLRV-UHFFFAOYSA-N
MW282.77 g/mol
LogP2.89
Rot. Bonds2

About 2-amino-N-(3-chloro-4-hydroxyphenyl)cycloheptane-1-carboxamide

2-amino-N-(3-chloro-4-hydroxyphenyl)cycloheptane-1-carboxamide (PubChem CID 107679949) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 2-amino-N-(3-chloro-4-hydroxyphenyl)cycloheptane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-(3-chloro-4-hydroxyphenyl)cycloheptane-1-carboxamide
PubChem CID107679949
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name2-amino-N-(3-chloro-4-hydroxyphenyl)cycloheptane-1-carboxamide
SMILESNC1CCCCCC1C(=O)Nc1ccc(O)c(Cl)c1
InChIInChI=1S/C14H19ClN2O2/c15-11-8-9(6-7-13(11)18)17-14(19)10-4-2-1-3-5-12(10)16/h6-8,10,12,18H,1-5,16H2,(H,17,19)
InChIKeyVBYINIMRURKLRV-UHFFFAOYSA-N
XLogP2.89
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(aminomethyl)-N-(3-chloro-4-hydroxyphenyl)cyclohexane-1-carboxamide
CID 107679848
5-[(2-aminocyclopentanecarbonyl)amino]-2-chlorobenzamide
CID 64823543
2-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]cyclohexane-1-carboxamide
CID 64822097
2-amino-N-(3-chloro-4-ethoxyphenyl)cyclohexane-1-carboxamide
CID 64823768
2-amino-N-(3,5-dichloro-4-fluorophenyl)cyclopentane-1-carboxamide
CID 107574334
2-amino-N-(3-chloro-4-ethoxyphenyl)cyclopentane-1-carboxamide
CID 64823769
2-amino-N-(4-hydroxyphenyl)cyclopentane-1-carboxamide
CID 64825119
2-amino-N-naphthalen-2-ylcyclohexane-1-carboxamide
CID 64823330
2-amino-N-(4-bromophenyl)cyclohexane-1-carboxamide
CID 64816780
2-amino-N-(4-methylphenyl)cyclohexane-1-carboxamide
CID 12512511
2-amino-N-(4-methyl-3-sulfamoylphenyl)cyclohexane-1-carboxamide
CID 64823639
trans-(1R,2R)-2-amino-N-phenylcyclohexane-1-carboxamide
CID 10889384

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-chloro-4-hydroxyphenyl)cycloheptane-1-carboxamide?
The IUPAC name of 2-amino-N-(3-chloro-4-hydroxyphenyl)cycloheptane-1-carboxamide (CID 107679949) is 2-amino-N-(3-chloro-4-hydroxyphenyl)cycloheptane-1-carboxamide.
What is the SMILES notation for 2-amino-N-(3-chloro-4-hydroxyphenyl)cycloheptane-1-carboxamide?
The canonical SMILES for 2-amino-N-(3-chloro-4-hydroxyphenyl)cycloheptane-1-carboxamide is NC1CCCCCC1C(=O)Nc1ccc(O)c(Cl)c1.
What is the InChIKey of 2-amino-N-(3-chloro-4-hydroxyphenyl)cycloheptane-1-carboxamide?
The InChIKey is VBYINIMRURKLRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c15-11-8-9(6-7-13(11)18)17-14(19)10-4-2-1-3-5-12(10)16/h6-8,10,12,18H,1-5,16H2,(H,17,19).
What are the key properties of 2-amino-N-(3-chloro-4-hydroxyphenyl)cycloheptane-1-carboxamide?
2-amino-N-(3-chloro-4-hydroxyphenyl)cycloheptane-1-carboxamide has a molecular weight of 282.77 g/mol, XLogP of 2.89, 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-chloro-4-hydroxyphenyl)cycloheptane-1-carboxamide is sourced from PubChem (CID 107679949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).