N-[4-(bromomethyl)phenyl]cycloheptanecarboxamide

C15H20BrNO — CID 113274667

IUPACN-[4-(bromomethyl)phenyl]cycloheptanecarboxamide
SMILESO=C(Nc1ccc(CBr)cc1)C1CCCCCC1
InChIInChI=1S/C15H20BrNO/c16-11-12-7-9-14(10-8-12)17-15(18)13-5-3-1-2-4-6-13/h7-10,13H,1-6,11H2,(H,17,18)
InChIKeySNZBGMXSOQVTDX-UHFFFAOYSA-N
MW310.23 g/mol
LogP4.49
Rot. Bonds3

About N-[4-(bromomethyl)phenyl]cycloheptanecarboxamide

N-[4-(bromomethyl)phenyl]cycloheptanecarboxamide (PubChem CID 113274667) has the molecular formula C15H20BrNO and a molecular weight of 310.23 g/mol. Its IUPAC name is N-[4-(bromomethyl)phenyl]cycloheptanecarboxamide.

Molecular Properties

Compound NameN-[4-(bromomethyl)phenyl]cycloheptanecarboxamide
PubChem CID113274667
Molecular FormulaC15H20BrNO
Molecular Weight310.23 g/mol
Exact Mass309.07
IUPAC NameN-[4-(bromomethyl)phenyl]cycloheptanecarboxamide
SMILESO=C(Nc1ccc(CBr)cc1)C1CCCCCC1
InChIInChI=1S/C15H20BrNO/c16-11-12-7-9-14(10-8-12)17-15(18)13-5-3-1-2-4-6-13/h7-10,13H,1-6,11H2,(H,17,18)
InChIKeySNZBGMXSOQVTDX-UHFFFAOYSA-N
XLogP4.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.23
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(2-bromoethyl)phenyl]cycloheptanecarboxamide
CID 114310257
N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexanecarboxamide
CID 25276011
N-[4-(aminomethyl)phenyl]cyclohexanecarboxamide
CID 16775689
N-(4-bromophenyl)cyclohexanecarboxamide
CID 531820
N-[4-(methylaminomethyl)phenyl]cycloheptanecarboxamide
CID 106909905
N-[4-[(cyclopropylamino)methyl]phenyl]cyclohexanecarboxamide
CID 106910531
N-[4-(hydroxymethyl)phenyl]cyclobutanecarboxamide
CID 64792635
N-(4-hydroxyphenyl)cycloheptanecarboxamide
CID 62589451
2-[[2-[4-(cyclohexanecarbonylamino)phenyl]acetyl]amino]acetic acid
CID 119224306
2-[[2-[4-(cyclooctanecarbonylamino)phenyl]acetyl]amino]acetic acid
CID 120523438
N-[4-(bromomethyl)phenyl]oxolane-2-carboxamide
CID 114310850
N-[4-(cycloheptylamino)phenyl]cyclobutanecarboxamide
CID 112985012

Frequently Asked Questions

What is the IUPAC name of N-[4-(bromomethyl)phenyl]cycloheptanecarboxamide?
The IUPAC name of N-[4-(bromomethyl)phenyl]cycloheptanecarboxamide (CID 113274667) is N-[4-(bromomethyl)phenyl]cycloheptanecarboxamide.
What is the SMILES notation for N-[4-(bromomethyl)phenyl]cycloheptanecarboxamide?
The canonical SMILES for N-[4-(bromomethyl)phenyl]cycloheptanecarboxamide is O=C(Nc1ccc(CBr)cc1)C1CCCCCC1.
What is the InChIKey of N-[4-(bromomethyl)phenyl]cycloheptanecarboxamide?
The InChIKey is SNZBGMXSOQVTDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO/c16-11-12-7-9-14(10-8-12)17-15(18)13-5-3-1-2-4-6-13/h7-10,13H,1-6,11H2,(H,17,18).
What are the key properties of N-[4-(bromomethyl)phenyl]cycloheptanecarboxamide?
N-[4-(bromomethyl)phenyl]cycloheptanecarboxamide has a molecular weight of 310.23 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(bromomethyl)phenyl]cycloheptanecarboxamide is sourced from PubChem (CID 113274667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).