N-(1-amino-2-methylpropan-2-yl)-2-(3-bromophenyl)cyclopropane-1-carboxamide;hydrochloride

C14H20BrClN2O — CID 119524603

IUPACN-(1-amino-2-methylpropan-2-yl)-2-(3-bromophenyl)cyclopropane-1-carboxamide;hydrochloride
SMILESCC(C)(CN)NC(=O)C1CC1c1cccc(Br)c1.Cl
InChIInChI=1S/C14H19BrN2O.ClH/c1-14(2,8-16)17-13(18)12-7-11(12)9-4-3-5-10(15)6-9;/h3-6,11-12H,7-8,16H2,1-2H3,(H,17,18);1H
InChIKeyICCDBPLBCNNIFA-UHFFFAOYSA-N
MW347.68 g/mol
LogP2.83
Rot. Bonds4

About N-(1-amino-2-methylpropan-2-yl)-2-(3-bromophenyl)cyclopropane-1-carboxamide;hydrochloride

N-(1-amino-2-methylpropan-2-yl)-2-(3-bromophenyl)cyclopropane-1-carboxamide;hydrochloride (PubChem CID 119524603) has the molecular formula C14H20BrClN2O and a molecular weight of 347.68 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-2-(3-bromophenyl)cyclopropane-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-2-(3-bromophenyl)cyclopropane-1-carboxamide;hydrochloride
PubChem CID119524603
Molecular FormulaC14H20BrClN2O
Molecular Weight347.68 g/mol
Exact Mass346.04
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-2-(3-bromophenyl)cyclopropane-1-carboxamide;hydrochloride
SMILESCC(C)(CN)NC(=O)C1CC1c1cccc(Br)c1.Cl
InChIInChI=1S/C14H19BrN2O.ClH/c1-14(2,8-16)17-13(18)12-7-11(12)9-4-3-5-10(15)6-9;/h3-6,11-12H,7-8,16H2,1-2H3,(H,17,18);1H
InChIKeyICCDBPLBCNNIFA-UHFFFAOYSA-N
XLogP2.83
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.68
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(aminomethyl)pentan-3-yl]-2-(3-bromophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119571567
N-[3-(aminomethyl)pentan-3-yl]-2-(3-bromophenyl)cyclopropane-1-carboxamide
CID 119571568
N-(1-amino-2-methylpropan-2-yl)-2-(3,4-dichlorophenyl)cyclopropane-1-carboxamide
CID 119522635
trans-(1R,2R)-2-(3-bromophenyl)-N-methoxycyclopropane-1-carboxamide
CID 94813050
N-(3-aminopropyl)-2-(3-bromophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119408418
N-[2-(aminomethyl)cyclohexyl]-2-(3-bromophenyl)cyclopropane-1-carboxamide
CID 119612033
methyl 3-[[(1S,2S)-2-(3-bromophenyl)cyclopropanecarbonyl]amino]propanoate
CID 95284135
3-[[2-(3-bromophenyl)cyclopropanecarbonyl]amino]butanoic acid
CID 119220666
2-(3-fluorophenyl)-N-(2-methylpentan-2-yl)cyclopropane-1-carboxamide
CID 71881321
2-(3-bromophenyl)-N-[(2R)-2-(ethylamino)propyl]cyclopropane-1-carboxamide;hydrochloride
CID 120650416
cis-(1R,2S)-2-(3-bromophenyl)-N-[(2R)-2-(dimethylamino)propyl]cyclopropane-1-carboxamide
CID 95155854
2-(3-bromophenyl)-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 49156347

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-2-(3-bromophenyl)cyclopropane-1-carboxamide;hydrochloride?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-2-(3-bromophenyl)cyclopropane-1-carboxamide;hydrochloride (CID 119524603) is N-(1-amino-2-methylpropan-2-yl)-2-(3-bromophenyl)cyclopropane-1-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-2-(3-bromophenyl)cyclopropane-1-carboxamide;hydrochloride?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-2-(3-bromophenyl)cyclopropane-1-carboxamide;hydrochloride is CC(C)(CN)NC(=O)C1CC1c1cccc(Br)c1.Cl.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-2-(3-bromophenyl)cyclopropane-1-carboxamide;hydrochloride?
The InChIKey is ICCDBPLBCNNIFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O.ClH/c1-14(2,8-16)17-13(18)12-7-11(12)9-4-3-5-10(15)6-9;/h3-6,11-12H,7-8,16H2,1-2H3,(H,17,18);1H.
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-2-(3-bromophenyl)cyclopropane-1-carboxamide;hydrochloride?
N-(1-amino-2-methylpropan-2-yl)-2-(3-bromophenyl)cyclopropane-1-carboxamide;hydrochloride has a molecular weight of 347.68 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropan-2-yl)-2-(3-bromophenyl)cyclopropane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119524603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).