N-(3-bromophenyl)-2-[2-[cyclopropyl(methyl)amino]ethylamino]acetamide

C14H20BrN3O — CID 62976482

IUPACN-(3-bromophenyl)-2-[2-[cyclopropyl(methyl)amino]ethylamino]acetamide
SMILESCN(CCNCC(=O)Nc1cccc(Br)c1)C1CC1
InChIInChI=1S/C14H20BrN3O/c1-18(13-5-6-13)8-7-16-10-14(19)17-12-4-2-3-11(15)9-12/h2-4,9,13,16H,5-8,10H2,1H3,(H,17,19)
InChIKeyJDNMZWMGWASQAP-UHFFFAOYSA-N
MW326.24 g/mol
LogP2.07
Rot. Bonds7

About N-(3-bromophenyl)-2-[2-[cyclopropyl(methyl)amino]ethylamino]acetamide

N-(3-bromophenyl)-2-[2-[cyclopropyl(methyl)amino]ethylamino]acetamide (PubChem CID 62976482) has the molecular formula C14H20BrN3O and a molecular weight of 326.24 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-[2-[cyclopropyl(methyl)amino]ethylamino]acetamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-[2-[cyclopropyl(methyl)amino]ethylamino]acetamide
PubChem CID62976482
Molecular FormulaC14H20BrN3O
Molecular Weight326.24 g/mol
Exact Mass325.08
IUPAC NameN-(3-bromophenyl)-2-[2-[cyclopropyl(methyl)amino]ethylamino]acetamide
SMILESCN(CCNCC(=O)Nc1cccc(Br)c1)C1CC1
InChIInChI=1S/C14H20BrN3O/c1-18(13-5-6-13)8-7-16-10-14(19)17-12-4-2-3-11(15)9-12/h2-4,9,13,16H,5-8,10H2,1H3,(H,17,19)
InChIKeyJDNMZWMGWASQAP-UHFFFAOYSA-N
XLogP2.07
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.24
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-bromophenyl)-2-(2-cyclohexylethylamino)acetamide
CID 60920962
2-[acetyl(cyclopropyl)amino]-N-(3-bromophenyl)acetamide
CID 113158461
N-(3-bromophenyl)-2-(3-methylbutylamino)acetamide
CID 28576518
N-(3-bromophenyl)-2-[(2-methylcyclopentyl)methylamino]acetamide
CID 107418146
N-(3-bromophenyl)-2-[methyl(piperidin-4-yl)amino]acetamide
CID 43607437
N-(3-bromophenyl)-2-(4-methylpentylamino)acetamide
CID 54914213
N-(3-bromophenyl)-2-[(4-hydroxycyclohexyl)methylamino]acetamide
CID 106133334
N'-(3-bromophenyl)-N-[2-(dimethylamino)ethyl]propanediamide
CID 108943931
N-(2-chlorophenyl)-2-[2-[cyclopropyl(methyl)amino]ethylamino]acetamide
CID 55140260
2-[2-[cyclopropyl(methyl)amino]ethylamino]-N-(2-fluorophenyl)acetamide
CID 62977435
N-(3-bromophenyl)-2-(oxan-4-ylmethylamino)acetamide
CID 63711846
N-(3-bromophenyl)-2-(2-methylprop-2-enylamino)acetamide
CID 115745377

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-[2-[cyclopropyl(methyl)amino]ethylamino]acetamide?
The IUPAC name of N-(3-bromophenyl)-2-[2-[cyclopropyl(methyl)amino]ethylamino]acetamide (CID 62976482) is N-(3-bromophenyl)-2-[2-[cyclopropyl(methyl)amino]ethylamino]acetamide.
What is the SMILES notation for N-(3-bromophenyl)-2-[2-[cyclopropyl(methyl)amino]ethylamino]acetamide?
The canonical SMILES for N-(3-bromophenyl)-2-[2-[cyclopropyl(methyl)amino]ethylamino]acetamide is CN(CCNCC(=O)Nc1cccc(Br)c1)C1CC1.
What is the InChIKey of N-(3-bromophenyl)-2-[2-[cyclopropyl(methyl)amino]ethylamino]acetamide?
The InChIKey is JDNMZWMGWASQAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O/c1-18(13-5-6-13)8-7-16-10-14(19)17-12-4-2-3-11(15)9-12/h2-4,9,13,16H,5-8,10H2,1H3,(H,17,19).
What are the key properties of N-(3-bromophenyl)-2-[2-[cyclopropyl(methyl)amino]ethylamino]acetamide?
N-(3-bromophenyl)-2-[2-[cyclopropyl(methyl)amino]ethylamino]acetamide has a molecular weight of 326.24 g/mol, XLogP of 2.07, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-[2-[cyclopropyl(methyl)amino]ethylamino]acetamide is sourced from PubChem (CID 62976482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).