N-[4-[(1S,2R)-2-amino-2-(naphthalen-2-ylmethyl)cyclopropyl]phenyl]benzamide;hydrochloride

C27H25ClN2O — CID 90198019

IUPACN-[4-[(1S,2R)-2-amino-2-(naphthalen-2-ylmethyl)cyclopropyl]phenyl]benzamide;hydrochloride
SMILESCl.N[C@@]1(Cc2ccc3ccccc3c2)C[C@H]1c1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C27H24N2O.ClH/c28-27(17-19-10-11-20-6-4-5-9-23(20)16-19)18-25(27)21-12-14-24(15-13-21)29-26(30)22-7-2-1-3-8-22;/h1-16,25H,17-18,28H2,(H,29,30);1H/t25-,27-;/m0./s1
InChIKeySXKMMSHTQYXRIH-IFYQUOOLSA-N
MW428.96 g/mol
LogP5.94
Rot. Bonds5

About N-[4-[(1S,2R)-2-amino-2-(naphthalen-2-ylmethyl)cyclopropyl]phenyl]benzamide;hydrochloride

N-[4-[(1S,2R)-2-amino-2-(naphthalen-2-ylmethyl)cyclopropyl]phenyl]benzamide;hydrochloride (PubChem CID 90198019) has the molecular formula C27H25ClN2O and a molecular weight of 428.96 g/mol. Its IUPAC name is N-[4-[(1S,2R)-2-amino-2-(naphthalen-2-ylmethyl)cyclopropyl]phenyl]benzamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[(1S,2R)-2-amino-2-(naphthalen-2-ylmethyl)cyclopropyl]phenyl]benzamide;hydrochloride
PubChem CID90198019
Molecular FormulaC27H25ClN2O
Molecular Weight428.96 g/mol
Exact Mass428.17
IUPAC NameN-[4-[(1S,2R)-2-amino-2-(naphthalen-2-ylmethyl)cyclopropyl]phenyl]benzamide;hydrochloride
SMILESCl.N[C@@]1(Cc2ccc3ccccc3c2)C[C@H]1c1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C27H24N2O.ClH/c28-27(17-19-10-11-20-6-4-5-9-23(20)16-19)18-25(27)21-12-14-24(15-13-21)29-26(30)22-7-2-1-3-8-22;/h1-16,25H,17-18,28H2,(H,29,30);1H/t25-,27-;/m0./s1
InChIKeySXKMMSHTQYXRIH-IFYQUOOLSA-N
XLogP5.94
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.96
LogP ≤ 55.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[2-amino-2-(naphthalen-2-ylmethyl)cyclopropyl]phenyl]naphthalene-2-carboxamide
CID 90205307
N-[4-[(1S,2R)-2-amino-2-(naphthalen-2-ylmethyl)cyclopropyl]phenyl]-3-phenylbenzamide
CID 90204670
N-[4-[2-amino-2-(naphthalen-2-ylmethyl)cyclopropyl]phenyl]-2-phenylacetamide;hydrochloride
CID 90198032
N-[4-[(1S,2R)-2-amino-2-(naphthalen-2-ylmethyl)cyclopropyl]phenyl]-2-naphthalen-1-ylacetamide;hydrochloride
CID 118483780
2-(4-bromophenyl)-1-(naphthalen-2-ylmethyl)cyclopropan-1-amine;hydrochloride
CID 90198033
benzyl N-[3-[2-[4-[(1S,2S)-2-amino-2-(naphthalen-2-ylmethyl)cyclopropyl]phenyl]acetyl]phenyl]carbamate
CID 161463395
N-[4-[(1S,2R)-2-amino-2-ethylcyclopropyl]phenyl]-4-phenylbenzamide
CID 74763834
N-[4-(naphthalene-2-carbonylamino)phenyl]naphthalene-2-carboxamide
CID 5120135
N-[3-[(1S,2S)-2-amino-2-ethylcyclopropyl]phenyl]benzamide
CID 90205042
N-(naphthalen-2-ylmethyl)benzamide
CID 47161333
N-[4-(2-amino-2-ethylcyclopropyl)phenyl]-4-pyridin-4-ylbenzamide;dihydrochloride
CID 118483954
4-ethyl-N-naphthalen-2-ylbenzamide
CID 5108081

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1S,2R)-2-amino-2-(naphthalen-2-ylmethyl)cyclopropyl]phenyl]benzamide;hydrochloride?
The IUPAC name of N-[4-[(1S,2R)-2-amino-2-(naphthalen-2-ylmethyl)cyclopropyl]phenyl]benzamide;hydrochloride (CID 90198019) is N-[4-[(1S,2R)-2-amino-2-(naphthalen-2-ylmethyl)cyclopropyl]phenyl]benzamide;hydrochloride.
What is the SMILES notation for N-[4-[(1S,2R)-2-amino-2-(naphthalen-2-ylmethyl)cyclopropyl]phenyl]benzamide;hydrochloride?
The canonical SMILES for N-[4-[(1S,2R)-2-amino-2-(naphthalen-2-ylmethyl)cyclopropyl]phenyl]benzamide;hydrochloride is Cl.N[C@@]1(Cc2ccc3ccccc3c2)C[C@H]1c1ccc(NC(=O)c2ccccc2)cc1.
What is the InChIKey of N-[4-[(1S,2R)-2-amino-2-(naphthalen-2-ylmethyl)cyclopropyl]phenyl]benzamide;hydrochloride?
The InChIKey is SXKMMSHTQYXRIH-IFYQUOOLSA-N. The full InChI is InChI=1S/C27H24N2O.ClH/c28-27(17-19-10-11-20-6-4-5-9-23(20)16-19)18-25(27)21-12-14-24(15-13-21)29-26(30)22-7-2-1-3-8-22;/h1-16,25H,17-18,28H2,(H,29,30);1H/t25-,27-;/m0./s1.
What are the key properties of N-[4-[(1S,2R)-2-amino-2-(naphthalen-2-ylmethyl)cyclopropyl]phenyl]benzamide;hydrochloride?
N-[4-[(1S,2R)-2-amino-2-(naphthalen-2-ylmethyl)cyclopropyl]phenyl]benzamide;hydrochloride has a molecular weight of 428.96 g/mol, XLogP of 5.94, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1S,2R)-2-amino-2-(naphthalen-2-ylmethyl)cyclopropyl]phenyl]benzamide;hydrochloride is sourced from PubChem (CID 90198019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).