2-bromo-N-(cyclopropylmethyl)-N-propylbenzamide

C14H18BrNO — CID 60637824

IUPAC2-bromo-N-(cyclopropylmethyl)-N-propylbenzamide
SMILESCCCN(CC1CC1)C(=O)c1ccccc1Br
InChIInChI=1S/C14H18BrNO/c1-2-9-16(10-11-7-8-11)14(17)12-5-3-4-6-13(12)15/h3-6,11H,2,7-10H2,1H3
InChIKeyPHYXIRCCUDBMDG-UHFFFAOYSA-N
MW296.21 g/mol
LogP3.71
Rot. Bonds5

About 2-bromo-N-(cyclopropylmethyl)-N-propylbenzamide

2-bromo-N-(cyclopropylmethyl)-N-propylbenzamide (PubChem CID 60637824) has the molecular formula C14H18BrNO and a molecular weight of 296.21 g/mol. Its IUPAC name is 2-bromo-N-(cyclopropylmethyl)-N-propylbenzamide.

Molecular Properties

Compound Name2-bromo-N-(cyclopropylmethyl)-N-propylbenzamide
PubChem CID60637824
Molecular FormulaC14H18BrNO
Molecular Weight296.21 g/mol
Exact Mass295.06
IUPAC Name2-bromo-N-(cyclopropylmethyl)-N-propylbenzamide
SMILESCCCN(CC1CC1)C(=O)c1ccccc1Br
InChIInChI=1S/C14H18BrNO/c1-2-9-16(10-11-7-8-11)14(17)12-5-3-4-6-13(12)15/h3-6,11H,2,7-10H2,1H3
InChIKeyPHYXIRCCUDBMDG-UHFFFAOYSA-N
XLogP3.71
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.21
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-amino-N-(cyclopropylmethyl)-N-propylbenzamide
CID 22493330
2-bromo-N-(cyclopropylmethyl)-5-fluoro-N-propylbenzamide
CID 60669039
2-[(2-bromobenzoyl)-propylamino]acetic acid
CID 61011660
2-bromo-N,N-dibutylbenzamide
CID 2843235
2-bromo-N-propyl-N-prop-2-ynylbenzamide
CID 78971034
N-(cyclopropylmethyl)-3-hydroxy-N-propylnaphthalene-2-carboxamide
CID 60654196
2-amino-4-bromo-N-(cyclopropylmethyl)-N-propylbenzamide
CID 79714030
N-(cyclopropylmethyl)-N-propyl-1-benzofuran-3-carboxamide
CID 77086659
2-bromo-N-butyl-N-ethylbenzamide
CID 2164030
1-(2-bromophenyl)-2-[cyclopropylmethyl(ethyl)amino]ethanone
CID 63954800
2-bromo-N-(1,1-dioxothiolan-3-yl)-N-propylbenzamide
CID 78771506
N-(cyclopropylmethyl)-N-propyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558092

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(cyclopropylmethyl)-N-propylbenzamide?
The IUPAC name of 2-bromo-N-(cyclopropylmethyl)-N-propylbenzamide (CID 60637824) is 2-bromo-N-(cyclopropylmethyl)-N-propylbenzamide.
What is the SMILES notation for 2-bromo-N-(cyclopropylmethyl)-N-propylbenzamide?
The canonical SMILES for 2-bromo-N-(cyclopropylmethyl)-N-propylbenzamide is CCCN(CC1CC1)C(=O)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-(cyclopropylmethyl)-N-propylbenzamide?
The InChIKey is PHYXIRCCUDBMDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO/c1-2-9-16(10-11-7-8-11)14(17)12-5-3-4-6-13(12)15/h3-6,11H,2,7-10H2,1H3.
What are the key properties of 2-bromo-N-(cyclopropylmethyl)-N-propylbenzamide?
2-bromo-N-(cyclopropylmethyl)-N-propylbenzamide has a molecular weight of 296.21 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(cyclopropylmethyl)-N-propylbenzamide is sourced from PubChem (CID 60637824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).