3-amino-N-[[1-(3-bromophenyl)cyclopropyl]methyl]-3-phenylpropanamide;hydrochloride

C19H22BrClN2O — CID 119951552

IUPAC3-amino-N-[[1-(3-bromophenyl)cyclopropyl]methyl]-3-phenylpropanamide;hydrochloride
SMILESCl.NC(CC(=O)NCC1(c2cccc(Br)c2)CC1)c1ccccc1
InChIInChI=1S/C19H21BrN2O.ClH/c20-16-8-4-7-15(11-16)19(9-10-19)13-22-18(23)12-17(21)14-5-2-1-3-6-14;/h1-8,11,17H,9-10,12-13,21H2,(H,22,23);1H
InChIKeyFNRTVBVWLVDBIM-UHFFFAOYSA-N
MW409.76 g/mol
LogP4.11
Rot. Bonds6

About 3-amino-N-[[1-(3-bromophenyl)cyclopropyl]methyl]-3-phenylpropanamide;hydrochloride

3-amino-N-[[1-(3-bromophenyl)cyclopropyl]methyl]-3-phenylpropanamide;hydrochloride (PubChem CID 119951552) has the molecular formula C19H22BrClN2O and a molecular weight of 409.76 g/mol. Its IUPAC name is 3-amino-N-[[1-(3-bromophenyl)cyclopropyl]methyl]-3-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[[1-(3-bromophenyl)cyclopropyl]methyl]-3-phenylpropanamide;hydrochloride
PubChem CID119951552
Molecular FormulaC19H22BrClN2O
Molecular Weight409.76 g/mol
Exact Mass408.06
IUPAC Name3-amino-N-[[1-(3-bromophenyl)cyclopropyl]methyl]-3-phenylpropanamide;hydrochloride
SMILESCl.NC(CC(=O)NCC1(c2cccc(Br)c2)CC1)c1ccccc1
InChIInChI=1S/C19H21BrN2O.ClH/c20-16-8-4-7-15(11-16)19(9-10-19)13-22-18(23)12-17(21)14-5-2-1-3-6-14;/h1-8,11,17H,9-10,12-13,21H2,(H,22,23);1H
InChIKeyFNRTVBVWLVDBIM-UHFFFAOYSA-N
XLogP4.11
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.76
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[[1-(3-bromophenyl)cyclopropyl]methyl]-2-phenylacetamide
CID 119325130
3-amino-N-[[1-(4-fluorophenyl)cyclobutyl]methyl]-3-phenylpropanamide;hydrochloride
CID 119950889
3-amino-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-3-phenylpropanamide
CID 119951110
1-[[1-(3-bromophenyl)cyclopropyl]methyl]-3-methoxyurea
CID 56805862
3-amino-3-phenyl-N-[(1-propan-2-ylcyclopropyl)methyl]propanamide;hydrochloride
CID 119951995
2-(4-aminophenyl)-N-[[1-(3-bromophenyl)cyclobutyl]methyl]acetamide;hydrochloride
CID 119744805
4-(aminomethyl)-N-[[1-(3-bromophenyl)cyclopropyl]methyl]benzamide;hydrochloride
CID 119325125
3-amino-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-3-phenylpropanamide;hydrochloride
CID 119952491
(2S)-2-amino-N-[[1-(3-bromophenyl)cyclopropyl]methyl]-4-methylsulfanylbutanamide
CID 119325122
(2R)-2-amino-N-[[4-(3-bromophenyl)oxan-4-yl]methyl]propanamide
CID 119297793
3-amino-N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]-3-phenylpropanamide
CID 119950588
N-[[4-(3-bromophenyl)oxan-4-yl]methyl]-4-phenylbutanamide
CID 60526265

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[1-(3-bromophenyl)cyclopropyl]methyl]-3-phenylpropanamide;hydrochloride?
The IUPAC name of 3-amino-N-[[1-(3-bromophenyl)cyclopropyl]methyl]-3-phenylpropanamide;hydrochloride (CID 119951552) is 3-amino-N-[[1-(3-bromophenyl)cyclopropyl]methyl]-3-phenylpropanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[[1-(3-bromophenyl)cyclopropyl]methyl]-3-phenylpropanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[[1-(3-bromophenyl)cyclopropyl]methyl]-3-phenylpropanamide;hydrochloride is Cl.NC(CC(=O)NCC1(c2cccc(Br)c2)CC1)c1ccccc1.
What is the InChIKey of 3-amino-N-[[1-(3-bromophenyl)cyclopropyl]methyl]-3-phenylpropanamide;hydrochloride?
The InChIKey is FNRTVBVWLVDBIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O.ClH/c20-16-8-4-7-15(11-16)19(9-10-19)13-22-18(23)12-17(21)14-5-2-1-3-6-14;/h1-8,11,17H,9-10,12-13,21H2,(H,22,23);1H.
What are the key properties of 3-amino-N-[[1-(3-bromophenyl)cyclopropyl]methyl]-3-phenylpropanamide;hydrochloride?
3-amino-N-[[1-(3-bromophenyl)cyclopropyl]methyl]-3-phenylpropanamide;hydrochloride has a molecular weight of 409.76 g/mol, XLogP of 4.11, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[1-(3-bromophenyl)cyclopropyl]methyl]-3-phenylpropanamide;hydrochloride is sourced from PubChem (CID 119951552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).