2-amino-N-[[1-(2-bromophenyl)cyclopropyl]methyl]-2-phenylpropanamide;hydrochloride

C19H22BrClN2O — CID 120593131

IUPAC2-amino-N-[[1-(2-bromophenyl)cyclopropyl]methyl]-2-phenylpropanamide;hydrochloride
SMILESCC(N)(C(=O)NCC1(c2ccccc2Br)CC1)c1ccccc1.Cl
InChIInChI=1S/C19H21BrN2O.ClH/c1-18(21,14-7-3-2-4-8-14)17(23)22-13-19(11-12-19)15-9-5-6-10-16(15)20;/h2-10H,11-13,21H2,1H3,(H,22,23);1H
InChIKeyDRQKVHDDTPIKTI-UHFFFAOYSA-N
MW409.76 g/mol
LogP3.89
Rot. Bonds5

About 2-amino-N-[[1-(2-bromophenyl)cyclopropyl]methyl]-2-phenylpropanamide;hydrochloride

2-amino-N-[[1-(2-bromophenyl)cyclopropyl]methyl]-2-phenylpropanamide;hydrochloride (PubChem CID 120593131) has the molecular formula C19H22BrClN2O and a molecular weight of 409.76 g/mol. Its IUPAC name is 2-amino-N-[[1-(2-bromophenyl)cyclopropyl]methyl]-2-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[[1-(2-bromophenyl)cyclopropyl]methyl]-2-phenylpropanamide;hydrochloride
PubChem CID120593131
Molecular FormulaC19H22BrClN2O
Molecular Weight409.76 g/mol
Exact Mass408.06
IUPAC Name2-amino-N-[[1-(2-bromophenyl)cyclopropyl]methyl]-2-phenylpropanamide;hydrochloride
SMILESCC(N)(C(=O)NCC1(c2ccccc2Br)CC1)c1ccccc1.Cl
InChIInChI=1S/C19H21BrN2O.ClH/c1-18(21,14-7-3-2-4-8-14)17(23)22-13-19(11-12-19)15-9-5-6-10-16(15)20;/h2-10H,11-13,21H2,1H3,(H,22,23);1H
InChIKeyDRQKVHDDTPIKTI-UHFFFAOYSA-N
XLogP3.89
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.76
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[[1-(2-bromophenyl)cyclopropyl]methyl]-2-methylpentanamide
CID 119800186
2-amino-N-[(1-hydroxycycloheptyl)methyl]-2-phenylpropanamide
CID 65122706
2-amino-N-[[1-(2-fluorophenyl)cyclopropyl]methyl]-2-methylpropanamide
CID 110480076
2-amino-N-[[1-(2-bromophenyl)cyclopropyl]methyl]-2-(4-methylphenyl)acetamide;hydrochloride
CID 120668782
1-[[1-(2-bromophenyl)cyclopropyl]methyl]-3-(2-hydroxyethyl)urea
CID 111458940
3-[[[[1-(2-bromophenyl)cyclopropyl]methylamino]-(ethylamino)methylidene]amino]-2,2-dimethylpropanamide
CID 111650050
3-[[1-(2-bromophenyl)cyclobutyl]methylcarbamoyl-methylamino]propanoic acid
CID 122015123
2-amino-2-phenyl-N-(2,2,2-trifluoroethyl)propanamide;hydrochloride
CID 120588942
N-[2-[(2-amino-2-phenylpropanoyl)amino]ethyl]-2,2-dimethylpropanamide
CID 120591033
2-amino-2-methyl-N-[(1-phenylcyclopropyl)methyl]pentanamide;hydrochloride
CID 119699195
3-amino-N-[[1-(2-bromophenyl)cyclopropyl]methyl]cyclopentane-1-carboxamide
CID 119800146
2-(2-aminoethyl)-N-[[1-(2-bromophenyl)cyclopropyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120635450

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[1-(2-bromophenyl)cyclopropyl]methyl]-2-phenylpropanamide;hydrochloride?
The IUPAC name of 2-amino-N-[[1-(2-bromophenyl)cyclopropyl]methyl]-2-phenylpropanamide;hydrochloride (CID 120593131) is 2-amino-N-[[1-(2-bromophenyl)cyclopropyl]methyl]-2-phenylpropanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[[1-(2-bromophenyl)cyclopropyl]methyl]-2-phenylpropanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[[1-(2-bromophenyl)cyclopropyl]methyl]-2-phenylpropanamide;hydrochloride is CC(N)(C(=O)NCC1(c2ccccc2Br)CC1)c1ccccc1.Cl.
What is the InChIKey of 2-amino-N-[[1-(2-bromophenyl)cyclopropyl]methyl]-2-phenylpropanamide;hydrochloride?
The InChIKey is DRQKVHDDTPIKTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O.ClH/c1-18(21,14-7-3-2-4-8-14)17(23)22-13-19(11-12-19)15-9-5-6-10-16(15)20;/h2-10H,11-13,21H2,1H3,(H,22,23);1H.
What are the key properties of 2-amino-N-[[1-(2-bromophenyl)cyclopropyl]methyl]-2-phenylpropanamide;hydrochloride?
2-amino-N-[[1-(2-bromophenyl)cyclopropyl]methyl]-2-phenylpropanamide;hydrochloride has a molecular weight of 409.76 g/mol, XLogP of 3.89, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[1-(2-bromophenyl)cyclopropyl]methyl]-2-phenylpropanamide;hydrochloride is sourced from PubChem (CID 120593131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).