[(1R)-1-(2-chlorophenyl)ethyl] 2-(naphthalene-2-carbonylamino)acetate

C21H18ClNO3 — CID 7881788

IUPAC[(1R)-1-(2-chlorophenyl)ethyl] 2-(naphthalene-2-carbonylamino)acetate
SMILESC[C@@H](OC(=O)CNC(=O)c1ccc2ccccc2c1)c1ccccc1Cl
InChIInChI=1S/C21H18ClNO3/c1-14(18-8-4-5-9-19(18)22)26-20(24)13-23-21(25)17-11-10-15-6-2-3-7-16(15)12-17/h2-12,14H,13H2,1H3,(H,23,25)/t14-/m1/s1
InChIKeyKKWYGSBCAFFEJH-CQSZACIVSA-N
MW367.83 g/mol
LogP4.53
Rot. Bonds5

About [(1R)-1-(2-chlorophenyl)ethyl] 2-(naphthalene-2-carbonylamino)acetate

[(1R)-1-(2-chlorophenyl)ethyl] 2-(naphthalene-2-carbonylamino)acetate (PubChem CID 7881788) has the molecular formula C21H18ClNO3 and a molecular weight of 367.83 g/mol. Its IUPAC name is [(1R)-1-(2-chlorophenyl)ethyl] 2-(naphthalene-2-carbonylamino)acetate.

Molecular Properties

Compound Name[(1R)-1-(2-chlorophenyl)ethyl] 2-(naphthalene-2-carbonylamino)acetate
PubChem CID7881788
Molecular FormulaC21H18ClNO3
Molecular Weight367.83 g/mol
Exact Mass367.10
IUPAC Name[(1R)-1-(2-chlorophenyl)ethyl] 2-(naphthalene-2-carbonylamino)acetate
SMILESC[C@@H](OC(=O)CNC(=O)c1ccc2ccccc2c1)c1ccccc1Cl
InChIInChI=1S/C21H18ClNO3/c1-14(18-8-4-5-9-19(18)22)26-20(24)13-23-21(25)17-11-10-15-6-2-3-7-16(15)12-17/h2-12,14H,13H2,1H3,(H,23,25)/t14-/m1/s1
InChIKeyKKWYGSBCAFFEJH-CQSZACIVSA-N
XLogP4.53
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.83
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(1S)-1-(2-chlorophenyl)ethyl] 2-[(4-chlorobenzoyl)amino]acetate
CID 7879449
[(1S)-1-phenylethyl] 2-(naphthalene-2-carbonylamino)acetate
CID 7881119
[(1S)-1-(2-chlorophenyl)ethyl] 2-(naphthalen-2-ylsulfonylamino)acetate
CID 7906485
[(1S)-1-phenylethyl] 2-[(3,4-dichlorobenzoyl)amino]acetate
CID 7880684
ethyl 2-(naphthalene-2-carbonylamino)acetate
CID 43007593
[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(naphthalene-2-carbonylamino)acetate
CID 8943626
[(1S)-1-(2-chlorophenyl)ethyl] 2-(adamantane-1-carbonylamino)acetate
CID 7190987
[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-(naphthalene-2-carbonylamino)acetate
CID 7881443
[(2S)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 2-(naphthalene-2-carbonylamino)acetate
CID 7881130
[1-(3-methylanilino)-1-oxopropan-2-yl] 2-(naphthalene-2-carbonylamino)acetate
CID 42902368
[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-(naphthalene-2-carbonylamino)acetate
CID 7881356
[1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 2-[(4-chloro-3-nitrobenzoyl)amino]acetate
CID 55320639

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(2-chlorophenyl)ethyl] 2-(naphthalene-2-carbonylamino)acetate?
The IUPAC name of [(1R)-1-(2-chlorophenyl)ethyl] 2-(naphthalene-2-carbonylamino)acetate (CID 7881788) is [(1R)-1-(2-chlorophenyl)ethyl] 2-(naphthalene-2-carbonylamino)acetate.
What is the SMILES notation for [(1R)-1-(2-chlorophenyl)ethyl] 2-(naphthalene-2-carbonylamino)acetate?
The canonical SMILES for [(1R)-1-(2-chlorophenyl)ethyl] 2-(naphthalene-2-carbonylamino)acetate is C[C@@H](OC(=O)CNC(=O)c1ccc2ccccc2c1)c1ccccc1Cl.
What is the InChIKey of [(1R)-1-(2-chlorophenyl)ethyl] 2-(naphthalene-2-carbonylamino)acetate?
The InChIKey is KKWYGSBCAFFEJH-CQSZACIVSA-N. The full InChI is InChI=1S/C21H18ClNO3/c1-14(18-8-4-5-9-19(18)22)26-20(24)13-23-21(25)17-11-10-15-6-2-3-7-16(15)12-17/h2-12,14H,13H2,1H3,(H,23,25)/t14-/m1/s1.
What are the key properties of [(1R)-1-(2-chlorophenyl)ethyl] 2-(naphthalene-2-carbonylamino)acetate?
[(1R)-1-(2-chlorophenyl)ethyl] 2-(naphthalene-2-carbonylamino)acetate has a molecular weight of 367.83 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(2-chlorophenyl)ethyl] 2-(naphthalene-2-carbonylamino)acetate is sourced from PubChem (CID 7881788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).