N-[(3-bromocyclopentyl)methyl]-3,4-dichlorobenzamide

C13H14BrCl2NO — CID 114147272

IUPACN-[(3-bromocyclopentyl)methyl]-3,4-dichlorobenzamide
SMILESO=C(NCC1CCC(Br)C1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H14BrCl2NO/c14-10-3-1-8(5-10)7-17-13(18)9-2-4-11(15)12(16)6-9/h2,4,6,8,10H,1,3,5,7H2,(H,17,18)
InChIKeyMCSIZSLCCSNVFQ-UHFFFAOYSA-N
MW351.07 g/mol
LogP4.29
Rot. Bonds3

About N-[(3-bromocyclopentyl)methyl]-3,4-dichlorobenzamide

N-[(3-bromocyclopentyl)methyl]-3,4-dichlorobenzamide (PubChem CID 114147272) has the molecular formula C13H14BrCl2NO and a molecular weight of 351.07 g/mol. Its IUPAC name is N-[(3-bromocyclopentyl)methyl]-3,4-dichlorobenzamide.

Molecular Properties

Compound NameN-[(3-bromocyclopentyl)methyl]-3,4-dichlorobenzamide
PubChem CID114147272
Molecular FormulaC13H14BrCl2NO
Molecular Weight351.07 g/mol
Exact Mass348.96
IUPAC NameN-[(3-bromocyclopentyl)methyl]-3,4-dichlorobenzamide
SMILESO=C(NCC1CCC(Br)C1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H14BrCl2NO/c14-10-3-1-8(5-10)7-17-13(18)9-2-4-11(15)12(16)6-9/h2,4,6,8,10H,1,3,5,7H2,(H,17,18)
InChIKeyMCSIZSLCCSNVFQ-UHFFFAOYSA-N
XLogP4.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.07
LogP ≤ 54.29
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-[(3-bromocyclopentyl)methyl]-3-chloro-4-methylbenzamide
CID 106127832
N-[(3-bromocyclopentyl)methyl]-4-chloro-3-methylbenzamide
CID 106129095
3,4-dichloro-N-[(4-hydroxycyclohexyl)methyl]benzamide
CID 106122138
N-[(3-bromocyclohexyl)methyl]-3-chloro-4-iodobenzamide
CID 114147750
N-[(3-bromocyclopentyl)methyl]-3,4-dimethylbenzamide
CID 114147220
3,4-dichloro-N-(oxan-4-ylmethyl)benzamide
CID 110736364
N-[(3-bromocyclopentyl)methyl]-3-methoxy-4-methylbenzamide
CID 106128639
N-[(3-bromocyclopentyl)methyl]-4-(dimethylamino)benzamide
CID 106127955
3-amino-4-chloro-N-(cyclopropylmethyl)benzamide
CID 16795062
N-[(3-bromocyclohexyl)methyl]-3,4-difluorobenzamide
CID 106133221
3,4-dichloro-N-[[(2S)-oxiran-2-yl]methyl]benzamide
CID 97180754
3,4-dichloro-N-[2-[[N-(cyclopropylmethyl)-N'-methylcarbamimidoyl]amino]ethyl]benzamide
CID 111870132

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromocyclopentyl)methyl]-3,4-dichlorobenzamide?
The IUPAC name of N-[(3-bromocyclopentyl)methyl]-3,4-dichlorobenzamide (CID 114147272) is N-[(3-bromocyclopentyl)methyl]-3,4-dichlorobenzamide.
What is the SMILES notation for N-[(3-bromocyclopentyl)methyl]-3,4-dichlorobenzamide?
The canonical SMILES for N-[(3-bromocyclopentyl)methyl]-3,4-dichlorobenzamide is O=C(NCC1CCC(Br)C1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[(3-bromocyclopentyl)methyl]-3,4-dichlorobenzamide?
The InChIKey is MCSIZSLCCSNVFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrCl2NO/c14-10-3-1-8(5-10)7-17-13(18)9-2-4-11(15)12(16)6-9/h2,4,6,8,10H,1,3,5,7H2,(H,17,18).
What are the key properties of N-[(3-bromocyclopentyl)methyl]-3,4-dichlorobenzamide?
N-[(3-bromocyclopentyl)methyl]-3,4-dichlorobenzamide has a molecular weight of 351.07 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromocyclopentyl)methyl]-3,4-dichlorobenzamide is sourced from PubChem (CID 114147272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).