(2-chlorophenyl)methyl-[(2R)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]azanium

C20H20ClN2O+ — CID 7999379

IUPAC(2-chlorophenyl)methyl-[(2R)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]azanium
SMILESC[C@@H]([NH2+]Cc1ccccc1Cl)C(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C20H19ClN2O/c1-14(22-13-17-8-4-5-9-19(17)21)20(24)23-18-11-10-15-6-2-3-7-16(15)12-18/h2-12,14,22H,13H2,1H3,(H,23,24)/p+1/t14-/m1/s1
InChIKeyYAGJQDSXUFHQRQ-CQSZACIVSA-O
MW339.85 g/mol
LogP3.58
Rot. Bonds5

About (2-chlorophenyl)methyl-[(2R)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]azanium

(2-chlorophenyl)methyl-[(2R)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]azanium (PubChem CID 7999379) has the molecular formula C20H20ClN2O+ and a molecular weight of 339.85 g/mol. Its IUPAC name is (2-chlorophenyl)methyl-[(2R)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]azanium.

Molecular Properties

Compound Name(2-chlorophenyl)methyl-[(2R)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]azanium
PubChem CID7999379
Molecular FormulaC20H20ClN2O+
Molecular Weight339.85 g/mol
Exact Mass339.13
IUPAC Name(2-chlorophenyl)methyl-[(2R)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]azanium
SMILESC[C@@H]([NH2+]Cc1ccccc1Cl)C(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C20H19ClN2O/c1-14(22-13-17-8-4-5-9-19(17)21)20(24)23-18-11-10-15-6-2-3-7-16(15)12-18/h2-12,14,22H,13H2,1H3,(H,23,24)/p+1/t14-/m1/s1
InChIKeyYAGJQDSXUFHQRQ-CQSZACIVSA-O
XLogP3.58
TPSA45.71 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.85
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2,4-dimethyl-N-naphthalen-2-ylpentanamide
CID 58642005
2-amino-4-methyl-N-naphthalen-2-ylpentanamide chloride
CID 5351894
(2R)-2-(2,4-dichlorophenoxy)-N-naphthalen-2-ylpropanamide
CID 7723467
(2-fluorophenyl)methyl-[(2S)-1-oxo-1-(2,4,6-trichloroanilino)propan-2-yl]azanium
CID 2547497
(2R)-2-amino-3-methyl-N-naphthalen-2-ylbutanamide
CID 671224
(2R)-2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-naphthalen-2-ylpropanamide
CID 2572986
3-(2,4-dichlorophenyl)-N-naphthalen-2-ylpropanamide
CID 100605346
2-(benzylamino)-N-naphthalen-2-ylpropanamide
CID 4870007
2-[4-[2-(methylamino)-2-oxoethyl]anilino]-N-naphthalen-2-ylpropanamide
CID 86924157
(3R)-3-(furan-2-ylmethylazaniumyl)-4-(naphthalen-2-ylamino)-4-oxobutanoate
CID 7439600
2-(3,4-dichlorophenyl)-N-naphthalen-2-ylacetamide
CID 7900527
2-amino-N-naphthalen-2-yl-3-phenylpropanamide
CID 577793

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)methyl-[(2R)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]azanium?
The IUPAC name of (2-chlorophenyl)methyl-[(2R)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]azanium (CID 7999379) is (2-chlorophenyl)methyl-[(2R)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]azanium.
What is the SMILES notation for (2-chlorophenyl)methyl-[(2R)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]azanium?
The canonical SMILES for (2-chlorophenyl)methyl-[(2R)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]azanium is C[C@@H]([NH2+]Cc1ccccc1Cl)C(=O)Nc1ccc2ccccc2c1.
What is the InChIKey of (2-chlorophenyl)methyl-[(2R)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]azanium?
The InChIKey is YAGJQDSXUFHQRQ-CQSZACIVSA-O. The full InChI is InChI=1S/C20H19ClN2O/c1-14(22-13-17-8-4-5-9-19(17)21)20(24)23-18-11-10-15-6-2-3-7-16(15)12-18/h2-12,14,22H,13H2,1H3,(H,23,24)/p+1/t14-/m1/s1.
What are the key properties of (2-chlorophenyl)methyl-[(2R)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]azanium?
(2-chlorophenyl)methyl-[(2R)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]azanium has a molecular weight of 339.85 g/mol, XLogP of 3.58, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)methyl-[(2R)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]azanium is sourced from PubChem (CID 7999379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).