N-[1-(4-bromophenyl)ethyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride

C14H20BrClN2O — CID 119753177

IUPACN-[1-(4-bromophenyl)ethyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride
SMILESCC(NC(=O)CNCC1CC1)c1ccc(Br)cc1.Cl
InChIInChI=1S/C14H19BrN2O.ClH/c1-10(12-4-6-13(15)7-5-12)17-14(18)9-16-8-11-2-3-11;/h4-7,10-11,16H,2-3,8-9H2,1H3,(H,17,18);1H
InChIKeySIBFBROCGUHOPJ-UHFFFAOYSA-N
MW347.68 g/mol
LogP3.05
Rot. Bonds6

About N-[1-(4-bromophenyl)ethyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride

N-[1-(4-bromophenyl)ethyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride (PubChem CID 119753177) has the molecular formula C14H20BrClN2O and a molecular weight of 347.68 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)ethyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)ethyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride
PubChem CID119753177
Molecular FormulaC14H20BrClN2O
Molecular Weight347.68 g/mol
Exact Mass346.04
IUPAC NameN-[1-(4-bromophenyl)ethyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride
SMILESCC(NC(=O)CNCC1CC1)c1ccc(Br)cc1.Cl
InChIInChI=1S/C14H19BrN2O.ClH/c1-10(12-4-6-13(15)7-5-12)17-14(18)9-16-8-11-2-3-11;/h4-7,10-11,16H,2-3,8-9H2,1H3,(H,17,18);1H
InChIKeySIBFBROCGUHOPJ-UHFFFAOYSA-N
XLogP3.05
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.68
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclopropylmethylamino)-N-[1-(4-methylphenyl)ethyl]acetamide;hydrochloride
CID 119705801
N-[1-(4-bromophenyl)propyl]-2-(cyclopropylmethylamino)acetamide
CID 60867633
2-(cyclopropylmethylamino)-N-[1-[4-(difluoromethoxy)phenyl]ethyl]acetamide;hydrochloride
CID 119720123
N-[(4-bromophenyl)-phenylmethyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119750778
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-(cyclopropylmethylamino)acetamide
CID 60866567
1-[4-[1-(4-bromophenyl)ethyl]piperazin-1-yl]-2-(cyclopropylmethylamino)ethanone;dihydrochloride
CID 119894341
2-(cyclopropylmethylamino)-N-(1-naphthalen-2-ylethyl)acetamide;hydrochloride
CID 119685956
2-(cyclopropylmethylamino)-N-[1-[4-(methylsulfamoyl)phenyl]ethyl]acetamide
CID 119750150
2-(cyclopropylmethylamino)-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]acetamide;hydrochloride
CID 119748722
N-[(1R)-1-(4-bromophenyl)ethyl]-2-piperidin-4-ylacetamide
CID 81359105
N-[1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]ethyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119812966
2-(cyclopropylmethylamino)-N-[1-(3,4-diethoxyphenyl)ethyl]acetamide;hydrochloride
CID 119682983

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)ethyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride?
The IUPAC name of N-[1-(4-bromophenyl)ethyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride (CID 119753177) is N-[1-(4-bromophenyl)ethyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride.
What is the SMILES notation for N-[1-(4-bromophenyl)ethyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride?
The canonical SMILES for N-[1-(4-bromophenyl)ethyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride is CC(NC(=O)CNCC1CC1)c1ccc(Br)cc1.Cl.
What is the InChIKey of N-[1-(4-bromophenyl)ethyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride?
The InChIKey is SIBFBROCGUHOPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O.ClH/c1-10(12-4-6-13(15)7-5-12)17-14(18)9-16-8-11-2-3-11;/h4-7,10-11,16H,2-3,8-9H2,1H3,(H,17,18);1H.
What are the key properties of N-[1-(4-bromophenyl)ethyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride?
N-[1-(4-bromophenyl)ethyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride has a molecular weight of 347.68 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)ethyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride is sourced from PubChem (CID 119753177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).