2-[[(1S)-1-phenylethyl]carbamoyl]benzoate

C16H14NO3- — CID 6929624

IUPAC2-[[(1S)-1-phenylethyl]carbamoyl]benzoate
SMILESC[C@H](NC(=O)c1ccccc1C(=O)[O-])c1ccccc1
InChIInChI=1S/C16H15NO3/c1-11(12-7-3-2-4-8-12)17-15(18)13-9-5-6-10-14(13)16(19)20/h2-11H,1H3,(H,17,18)(H,19,20)/p-1/t11-/m0/s1
InChIKeyVCFKXWGKKDZMPO-NSHDSACASA-M
MW268.29 g/mol
LogP1.54
Rot. Bonds4

About 2-[[(1S)-1-phenylethyl]carbamoyl]benzoate

2-[[(1S)-1-phenylethyl]carbamoyl]benzoate (PubChem CID 6929624) has the molecular formula C16H14NO3- and a molecular weight of 268.29 g/mol. Its IUPAC name is 2-[[(1S)-1-phenylethyl]carbamoyl]benzoate.

Molecular Properties

Compound Name2-[[(1S)-1-phenylethyl]carbamoyl]benzoate
PubChem CID6929624
Molecular FormulaC16H14NO3-
Molecular Weight268.29 g/mol
Exact Mass268.10
IUPAC Name2-[[(1S)-1-phenylethyl]carbamoyl]benzoate
SMILESC[C@H](NC(=O)c1ccccc1C(=O)[O-])c1ccccc1
InChIInChI=1S/C16H15NO3/c1-11(12-7-3-2-4-8-12)17-15(18)13-9-5-6-10-14(13)16(19)20/h2-11H,1H3,(H,17,18)(H,19,20)/p-1/t11-/m0/s1
InChIKeyVCFKXWGKKDZMPO-NSHDSACASA-M
XLogP1.54
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-(1-phenylethyl)benzene-1,2-dicarboxamide
CID 22396198
2-[2,6-bis(1-phenylethylcarbamoyl)phenyl]-1-N,3-N-bis(1-phenylethyl)benzene-1,3-dicarboxamide
CID 570721
2-methyl-N-[(1R)-1-phenylethyl]benzamide
CID 681346
N-(1-phenylethyl)-2-sulfanylbenzamide
CID 113218601
N-[(1R)-1-phenylethyl]-2-propan-2-ylsulfanylbenzamide
CID 9172998
2-fluoro-N-[(1R)-1-phenylethyl]benzamide
CID 689982
N-[(1S)-1-phenylethyl]-2-[[2-[[(1S)-1-phenylethyl]carbamoyl]phenyl]diselanyl]benzamide
CID 10531743
2-hydrazinyl-N-(1-phenylethyl)benzamide
CID 62248479
2-[1-(4-chlorophenyl)ethylcarbamoyl]benzoic acid
CID 43399735
N-[(1R)-1-phenylethyl]-2-propan-2-yloxybenzamide
CID 92666015
2-[[(1R)-1-(4-bromophenyl)ethyl]carbamoyl]benzoic acid
CID 81356390
2-hydroxy-3-methoxy-N-(1-phenylethyl)benzamide
CID 43176488

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-phenylethyl]carbamoyl]benzoate?
The IUPAC name of 2-[[(1S)-1-phenylethyl]carbamoyl]benzoate (CID 6929624) is 2-[[(1S)-1-phenylethyl]carbamoyl]benzoate.
What is the SMILES notation for 2-[[(1S)-1-phenylethyl]carbamoyl]benzoate?
The canonical SMILES for 2-[[(1S)-1-phenylethyl]carbamoyl]benzoate is C[C@H](NC(=O)c1ccccc1C(=O)[O-])c1ccccc1.
What is the InChIKey of 2-[[(1S)-1-phenylethyl]carbamoyl]benzoate?
The InChIKey is VCFKXWGKKDZMPO-NSHDSACASA-M. The full InChI is InChI=1S/C16H15NO3/c1-11(12-7-3-2-4-8-12)17-15(18)13-9-5-6-10-14(13)16(19)20/h2-11H,1H3,(H,17,18)(H,19,20)/p-1/t11-/m0/s1.
What are the key properties of 2-[[(1S)-1-phenylethyl]carbamoyl]benzoate?
2-[[(1S)-1-phenylethyl]carbamoyl]benzoate has a molecular weight of 268.29 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-1-phenylethyl]carbamoyl]benzoate is sourced from PubChem (CID 6929624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).