N-(2-bromo-5-phenylmethoxyphenyl)cyclopentanecarboxamide

C19H20BrNO2 — CID 58221370

IUPACN-(2-bromo-5-phenylmethoxyphenyl)cyclopentanecarboxamide
SMILESO=C(Nc1cc(OCc2ccccc2)ccc1Br)C1CCCC1
InChIInChI=1S/C19H20BrNO2/c20-17-11-10-16(23-13-14-6-2-1-3-7-14)12-18(17)21-19(22)15-8-4-5-9-15/h1-3,6-7,10-12,15H,4-5,8-9,13H2,(H,21,22)
InChIKeyXHZRLRNSAHPVAJ-UHFFFAOYSA-N
MW374.28 g/mol
LogP5.16
Rot. Bonds5

About N-(2-bromo-5-phenylmethoxyphenyl)cyclopentanecarboxamide

N-(2-bromo-5-phenylmethoxyphenyl)cyclopentanecarboxamide (PubChem CID 58221370) has the molecular formula C19H20BrNO2 and a molecular weight of 374.28 g/mol. Its IUPAC name is N-(2-bromo-5-phenylmethoxyphenyl)cyclopentanecarboxamide.

Molecular Properties

Compound NameN-(2-bromo-5-phenylmethoxyphenyl)cyclopentanecarboxamide
PubChem CID58221370
Molecular FormulaC19H20BrNO2
Molecular Weight374.28 g/mol
Exact Mass373.07
IUPAC NameN-(2-bromo-5-phenylmethoxyphenyl)cyclopentanecarboxamide
SMILESO=C(Nc1cc(OCc2ccccc2)ccc1Br)C1CCCC1
InChIInChI=1S/C19H20BrNO2/c20-17-11-10-16(23-13-14-6-2-1-3-7-14)12-18(17)21-19(22)15-8-4-5-9-15/h1-3,6-7,10-12,15H,4-5,8-9,13H2,(H,21,22)
InChIKeyXHZRLRNSAHPVAJ-UHFFFAOYSA-N
XLogP5.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.28
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 62780708
N-(2-bromophenyl)cyclopentanecarboxamide
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N-[(3-phenylmethoxyphenyl)carbamothioyl]cyclohexanecarboxamide
CID 17086173
N-(6-bromo-4-methyl-3-pyridinyl)cyclohexanecarboxamide;ethane;methoxymethylbenzene
CID 164567064
N-[4-(4-phenylmethoxyanilino)phenyl]cyclopropanecarboxamide
CID 112988911
4-bromo-3-(cyclobutanecarbonylamino)benzoic acid
CID 107812424
N-(2-bromo-5-chlorophenyl)cyclohexanecarboxamide
CID 81272184
2-bromo-5-phenylmethoxybenzoic acid
CID 15891190
N-(2-bromo-5-chlorophenyl)cyclobutanecarboxamide
CID 81272636
N-[(3-phenylmethoxyphenyl)methylideneamino]cyclohexanecarboxamide
CID 922326
N-[2-(cyclopentanecarbonylamino)phenyl]cyclopentanecarboxamide
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CID 166420523

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-phenylmethoxyphenyl)cyclopentanecarboxamide?
The IUPAC name of N-(2-bromo-5-phenylmethoxyphenyl)cyclopentanecarboxamide (CID 58221370) is N-(2-bromo-5-phenylmethoxyphenyl)cyclopentanecarboxamide.
What is the SMILES notation for N-(2-bromo-5-phenylmethoxyphenyl)cyclopentanecarboxamide?
The canonical SMILES for N-(2-bromo-5-phenylmethoxyphenyl)cyclopentanecarboxamide is O=C(Nc1cc(OCc2ccccc2)ccc1Br)C1CCCC1.
What is the InChIKey of N-(2-bromo-5-phenylmethoxyphenyl)cyclopentanecarboxamide?
The InChIKey is XHZRLRNSAHPVAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrNO2/c20-17-11-10-16(23-13-14-6-2-1-3-7-14)12-18(17)21-19(22)15-8-4-5-9-15/h1-3,6-7,10-12,15H,4-5,8-9,13H2,(H,21,22).
What are the key properties of N-(2-bromo-5-phenylmethoxyphenyl)cyclopentanecarboxamide?
N-(2-bromo-5-phenylmethoxyphenyl)cyclopentanecarboxamide has a molecular weight of 374.28 g/mol, XLogP of 5.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-phenylmethoxyphenyl)cyclopentanecarboxamide is sourced from PubChem (CID 58221370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).