N-[1-(3-bromophenyl)cyclopropyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride

C15H20BrClN2O — CID 119800393

IUPACN-[1-(3-bromophenyl)cyclopropyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride
SMILESCl.O=C(CNCC1CC1)NC1(c2cccc(Br)c2)CC1
InChIInChI=1S/C15H19BrN2O.ClH/c16-13-3-1-2-12(8-13)15(6-7-15)18-14(19)10-17-9-11-4-5-11;/h1-3,8,11,17H,4-7,9-10H2,(H,18,19);1H
InChIKeyKVAUOEWUPCSZKB-UHFFFAOYSA-N
MW359.70 g/mol
LogP2.98
Rot. Bonds6

About N-[1-(3-bromophenyl)cyclopropyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride

N-[1-(3-bromophenyl)cyclopropyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride (PubChem CID 119800393) has the molecular formula C15H20BrClN2O and a molecular weight of 359.70 g/mol. Its IUPAC name is N-[1-(3-bromophenyl)cyclopropyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(3-bromophenyl)cyclopropyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride
PubChem CID119800393
Molecular FormulaC15H20BrClN2O
Molecular Weight359.70 g/mol
Exact Mass358.04
IUPAC NameN-[1-(3-bromophenyl)cyclopropyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride
SMILESCl.O=C(CNCC1CC1)NC1(c2cccc(Br)c2)CC1
InChIInChI=1S/C15H19BrN2O.ClH/c16-13-3-1-2-12(8-13)15(6-7-15)18-14(19)10-17-9-11-4-5-11;/h1-3,8,11,17H,4-7,9-10H2,(H,18,19);1H
InChIKeyKVAUOEWUPCSZKB-UHFFFAOYSA-N
XLogP2.98
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.70
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclopropylmethylamino)-N-(1-phenylcyclobutyl)acetamide;hydrochloride
CID 119697176
N-[[1-(3-bromophenyl)cyclobutyl]methyl]-2-(cyclopropylmethylamino)acetamide
CID 119744818
7-amino-N-[1-(3-bromophenyl)cyclobutyl]heptanamide;hydrochloride
CID 119744837
N-(3-bromophenyl)-2-[(4-hydroxycyclohexyl)methylamino]acetamide
CID 106133334
N-[1-(3-bromophenyl)cyclobutyl]-2-(tetrazol-1-yl)acetamide
CID 51090736
N-[1-(3-bromophenyl)cyclobutyl]-2-thiomorpholin-3-ylacetamide
CID 119937586
N-[[4-(3-bromophenyl)oxan-4-yl]methyl]-1-cyclopropylmethanamine
CID 119110407
9-amino-N-[1-(3-bromophenyl)cyclopropyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120990587
cis-(1R,2S)-N-[1-(3-bromophenyl)cyclopropyl]-2-nitrocyclopropane-1-carboxamide
CID 95774951
N-(3-bromophenyl)-2-(oxan-4-ylmethylamino)acetamide
CID 63711846
1-(3-bromophenyl)-N-methylcyclopropan-1-amine;hydrochloride
CID 175203393
(2S,5R)-5-(aminomethyl)-N-[1-(3-bromophenyl)cyclobutyl]oxolane-2-carboxamide
CID 120789412

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromophenyl)cyclopropyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride?
The IUPAC name of N-[1-(3-bromophenyl)cyclopropyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride (CID 119800393) is N-[1-(3-bromophenyl)cyclopropyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride.
What is the SMILES notation for N-[1-(3-bromophenyl)cyclopropyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride?
The canonical SMILES for N-[1-(3-bromophenyl)cyclopropyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride is Cl.O=C(CNCC1CC1)NC1(c2cccc(Br)c2)CC1.
What is the InChIKey of N-[1-(3-bromophenyl)cyclopropyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride?
The InChIKey is KVAUOEWUPCSZKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O.ClH/c16-13-3-1-2-12(8-13)15(6-7-15)18-14(19)10-17-9-11-4-5-11;/h1-3,8,11,17H,4-7,9-10H2,(H,18,19);1H.
What are the key properties of N-[1-(3-bromophenyl)cyclopropyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride?
N-[1-(3-bromophenyl)cyclopropyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride has a molecular weight of 359.70 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromophenyl)cyclopropyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride is sourced from PubChem (CID 119800393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).