1-(3-bromophenyl)-N-(cyclopropylmethyl)-N-methylcyclopentane-1-carboxamide

C17H22BrNO — CID 87025793

IUPAC1-(3-bromophenyl)-N-(cyclopropylmethyl)-N-methylcyclopentane-1-carboxamide
SMILESCN(CC1CC1)C(=O)C1(c2cccc(Br)c2)CCCC1
InChIInChI=1S/C17H22BrNO/c1-19(12-13-7-8-13)16(20)17(9-2-3-10-17)14-5-4-6-15(18)11-14/h4-6,11,13H,2-3,7-10,12H2,1H3
InChIKeySXHGECDQLRUNJW-UHFFFAOYSA-N
MW336.27 g/mol
LogP4.13
Rot. Bonds4

About 1-(3-bromophenyl)-N-(cyclopropylmethyl)-N-methylcyclopentane-1-carboxamide

1-(3-bromophenyl)-N-(cyclopropylmethyl)-N-methylcyclopentane-1-carboxamide (PubChem CID 87025793) has the molecular formula C17H22BrNO and a molecular weight of 336.27 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N-(cyclopropylmethyl)-N-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(3-bromophenyl)-N-(cyclopropylmethyl)-N-methylcyclopentane-1-carboxamide
PubChem CID87025793
Molecular FormulaC17H22BrNO
Molecular Weight336.27 g/mol
Exact Mass335.09
IUPAC Name1-(3-bromophenyl)-N-(cyclopropylmethyl)-N-methylcyclopentane-1-carboxamide
SMILESCN(CC1CC1)C(=O)C1(c2cccc(Br)c2)CCCC1
InChIInChI=1S/C17H22BrNO/c1-19(12-13-7-8-13)16(20)17(9-2-3-10-17)14-5-4-6-15(18)11-14/h4-6,11,13H,2-3,7-10,12H2,1H3
InChIKeySXHGECDQLRUNJW-UHFFFAOYSA-N
XLogP4.13
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.27
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N-(cyclopropylmethyl)-N-methylcyclopentane-1-carboxamide?
The IUPAC name of 1-(3-bromophenyl)-N-(cyclopropylmethyl)-N-methylcyclopentane-1-carboxamide (CID 87025793) is 1-(3-bromophenyl)-N-(cyclopropylmethyl)-N-methylcyclopentane-1-carboxamide.
What is the SMILES notation for 1-(3-bromophenyl)-N-(cyclopropylmethyl)-N-methylcyclopentane-1-carboxamide?
The canonical SMILES for 1-(3-bromophenyl)-N-(cyclopropylmethyl)-N-methylcyclopentane-1-carboxamide is CN(CC1CC1)C(=O)C1(c2cccc(Br)c2)CCCC1.
What is the InChIKey of 1-(3-bromophenyl)-N-(cyclopropylmethyl)-N-methylcyclopentane-1-carboxamide?
The InChIKey is SXHGECDQLRUNJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrNO/c1-19(12-13-7-8-13)16(20)17(9-2-3-10-17)14-5-4-6-15(18)11-14/h4-6,11,13H,2-3,7-10,12H2,1H3.
What are the key properties of 1-(3-bromophenyl)-N-(cyclopropylmethyl)-N-methylcyclopentane-1-carboxamide?
1-(3-bromophenyl)-N-(cyclopropylmethyl)-N-methylcyclopentane-1-carboxamide has a molecular weight of 336.27 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-N-(cyclopropylmethyl)-N-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 87025793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).