N-(4-amino-3-bromophenyl)cycloheptanecarboxamide

C14H19BrN2O — CID 82861556

IUPACN-(4-amino-3-bromophenyl)cycloheptanecarboxamide
SMILESNc1ccc(NC(=O)C2CCCCCC2)cc1Br
InChIInChI=1S/C14H19BrN2O/c15-12-9-11(7-8-13(12)16)17-14(18)10-5-3-1-2-4-6-10/h7-10H,1-6,16H2,(H,17,18)
InChIKeyZSKLWJNXKFTVSN-UHFFFAOYSA-N
MW311.22 g/mol
LogP3.94
Rot. Bonds2

About N-(4-amino-3-bromophenyl)cycloheptanecarboxamide

N-(4-amino-3-bromophenyl)cycloheptanecarboxamide (PubChem CID 82861556) has the molecular formula C14H19BrN2O and a molecular weight of 311.22 g/mol. Its IUPAC name is N-(4-amino-3-bromophenyl)cycloheptanecarboxamide.

Molecular Properties

Compound NameN-(4-amino-3-bromophenyl)cycloheptanecarboxamide
PubChem CID82861556
Molecular FormulaC14H19BrN2O
Molecular Weight311.22 g/mol
Exact Mass310.07
IUPAC NameN-(4-amino-3-bromophenyl)cycloheptanecarboxamide
SMILESNc1ccc(NC(=O)C2CCCCCC2)cc1Br
InChIInChI=1S/C14H19BrN2O/c15-12-9-11(7-8-13(12)16)17-14(18)10-5-3-1-2-4-6-10/h7-10H,1-6,16H2,(H,17,18)
InChIKeyZSKLWJNXKFTVSN-UHFFFAOYSA-N
XLogP3.94
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-3-bromophenyl)cyclohexanecarboxamide
CID 82861844
N-(3-amino-4-bromophenyl)cyclohexanecarboxamide
CID 79767895
N-(4-amino-3-hydroxyphenyl)cyclohexanecarboxamide
CID 143616752
N-(4-bromo-3-methylphenyl)cyclohexanecarboxamide
CID 766715
N-(3-bromo-4-methoxyphenyl)cyclopentanecarboxamide
CID 110776805
2-bromo-4-(cycloheptanecarbonylamino)benzenesulfonyl chloride
CID 62586848
N-(4-bromophenyl)cyclohexanecarboxamide
CID 531820
N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexanecarboxamide
CID 25276011
N-(3-amino-4-methoxyphenyl)cyclooctanecarboxamide
CID 65023208
1-(4-amino-3-bromophenyl)-3-cyclobutylurea
CID 116653685
N-(4-amino-2,6-dibromophenyl)cycloheptanecarboxamide
CID 62586302
N-(4-amino-2-bromophenyl)cyclohexanecarboxamide
CID 1133414

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3-bromophenyl)cycloheptanecarboxamide?
The IUPAC name of N-(4-amino-3-bromophenyl)cycloheptanecarboxamide (CID 82861556) is N-(4-amino-3-bromophenyl)cycloheptanecarboxamide.
What is the SMILES notation for N-(4-amino-3-bromophenyl)cycloheptanecarboxamide?
The canonical SMILES for N-(4-amino-3-bromophenyl)cycloheptanecarboxamide is Nc1ccc(NC(=O)C2CCCCCC2)cc1Br.
What is the InChIKey of N-(4-amino-3-bromophenyl)cycloheptanecarboxamide?
The InChIKey is ZSKLWJNXKFTVSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O/c15-12-9-11(7-8-13(12)16)17-14(18)10-5-3-1-2-4-6-10/h7-10H,1-6,16H2,(H,17,18).
What are the key properties of N-(4-amino-3-bromophenyl)cycloheptanecarboxamide?
N-(4-amino-3-bromophenyl)cycloheptanecarboxamide has a molecular weight of 311.22 g/mol, XLogP of 3.94, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-3-bromophenyl)cycloheptanecarboxamide is sourced from PubChem (CID 82861556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).