N-[4-(2-aminocyclopropyl)phenyl]naphthalene-1-carboxamide;hydrochloride

C20H19ClN2O — CID 170691820

IUPACN-[4-(2-aminocyclopropyl)phenyl]naphthalene-1-carboxamide;hydrochloride
SMILESCl.NC1CC1c1ccc(NC(=O)c2cccc3ccccc23)cc1
InChIInChI=1S/C20H18N2O.ClH/c21-19-12-18(19)14-8-10-15(11-9-14)22-20(23)17-7-3-5-13-4-1-2-6-16(13)17;/h1-11,18-19H,12,21H2,(H,22,23);1H
InChIKeyKUDRPYBSFHVGOE-UHFFFAOYSA-N
MW338.84 g/mol
LogP4.33
Rot. Bonds3

About N-[4-(2-aminocyclopropyl)phenyl]naphthalene-1-carboxamide;hydrochloride

N-[4-(2-aminocyclopropyl)phenyl]naphthalene-1-carboxamide;hydrochloride (PubChem CID 170691820) has the molecular formula C20H19ClN2O and a molecular weight of 338.84 g/mol. Its IUPAC name is N-[4-(2-aminocyclopropyl)phenyl]naphthalene-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(2-aminocyclopropyl)phenyl]naphthalene-1-carboxamide;hydrochloride
PubChem CID170691820
Molecular FormulaC20H19ClN2O
Molecular Weight338.84 g/mol
Exact Mass338.12
IUPAC NameN-[4-(2-aminocyclopropyl)phenyl]naphthalene-1-carboxamide;hydrochloride
SMILESCl.NC1CC1c1ccc(NC(=O)c2cccc3ccccc23)cc1
InChIInChI=1S/C20H18N2O.ClH/c21-19-12-18(19)14-8-10-15(11-9-14)22-20(23)17-7-3-5-13-4-1-2-6-16(13)17;/h1-11,18-19H,12,21H2,(H,22,23);1H
InChIKeyKUDRPYBSFHVGOE-UHFFFAOYSA-N
XLogP4.33
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-aminocyclopropyl)naphthalene-1-carboxamide
CID 43593836
N-(4-iodophenyl)naphthalene-1-carboxamide
CID 1019200
N-[4-[(1S,2R)-2-aminocyclopropyl]phenyl]-1H-indole-2-carboxamide
CID 127035500
N-[4-(2-phenylethenyl)phenyl]naphthalene-1-carboxamide
CID 23853473
[1-[4-(2-aminocyclopropyl)anilino]-3-naphthalen-1-yl-1-oxo-4-phenylbutan-2-yl]carbamic acid
CID 118536344
N-[4-[(1S,2R)-2-aminocyclopropyl]phenyl]-3-methylbenzamide
CID 86729837
N-[3-chloro-4-(naphthalene-1-carbonylamino)phenyl]naphthalene-1-carboxamide
CID 2179861
N-[4-(pyrrolidine-1-carbonyl)phenyl]naphthalene-1-carboxamide
CID 2986145
N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide
CID 1048483
N-[4-[(2S)-3-(3-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]naphthalene-1-carboxamide
CID 93127142
N-[4-[(2R)-3-(3-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]naphthalene-1-carboxamide
CID 93127141
N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]naphthalene-1-carboxamide
CID 108760742

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-aminocyclopropyl)phenyl]naphthalene-1-carboxamide;hydrochloride?
The IUPAC name of N-[4-(2-aminocyclopropyl)phenyl]naphthalene-1-carboxamide;hydrochloride (CID 170691820) is N-[4-(2-aminocyclopropyl)phenyl]naphthalene-1-carboxamide;hydrochloride.
What is the SMILES notation for N-[4-(2-aminocyclopropyl)phenyl]naphthalene-1-carboxamide;hydrochloride?
The canonical SMILES for N-[4-(2-aminocyclopropyl)phenyl]naphthalene-1-carboxamide;hydrochloride is Cl.NC1CC1c1ccc(NC(=O)c2cccc3ccccc23)cc1.
What is the InChIKey of N-[4-(2-aminocyclopropyl)phenyl]naphthalene-1-carboxamide;hydrochloride?
The InChIKey is KUDRPYBSFHVGOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O.ClH/c21-19-12-18(19)14-8-10-15(11-9-14)22-20(23)17-7-3-5-13-4-1-2-6-16(13)17;/h1-11,18-19H,12,21H2,(H,22,23);1H.
What are the key properties of N-[4-(2-aminocyclopropyl)phenyl]naphthalene-1-carboxamide;hydrochloride?
N-[4-(2-aminocyclopropyl)phenyl]naphthalene-1-carboxamide;hydrochloride has a molecular weight of 338.84 g/mol, XLogP of 4.33, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-aminocyclopropyl)phenyl]naphthalene-1-carboxamide;hydrochloride is sourced from PubChem (CID 170691820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).