2-(3,5-dichlorophenyl)-2-(phenylmethoxycarbonylamino)acetic acid

C16H13Cl2NO4 — CID 22309293

IUPAC2-(3,5-dichlorophenyl)-2-(phenylmethoxycarbonylamino)acetic acid
SMILESO=C(NC(C(=O)O)c1cc(Cl)cc(Cl)c1)OCc1ccccc1
InChIInChI=1S/C16H13Cl2NO4/c17-12-6-11(7-13(18)8-12)14(15(20)21)19-16(22)23-9-10-4-2-1-3-5-10/h1-8,14H,9H2,(H,19,22)(H,20,21)
InChIKeyLNNNZBBGZKPGQD-UHFFFAOYSA-N
MW354.19 g/mol
LogP4.05
Rot. Bonds5

About 2-(3,5-dichlorophenyl)-2-(phenylmethoxycarbonylamino)acetic acid

2-(3,5-dichlorophenyl)-2-(phenylmethoxycarbonylamino)acetic acid (PubChem CID 22309293) has the molecular formula C16H13Cl2NO4 and a molecular weight of 354.19 g/mol. Its IUPAC name is 2-(3,5-dichlorophenyl)-2-(phenylmethoxycarbonylamino)acetic acid.

Molecular Properties

Compound Name2-(3,5-dichlorophenyl)-2-(phenylmethoxycarbonylamino)acetic acid
PubChem CID22309293
Molecular FormulaC16H13Cl2NO4
Molecular Weight354.19 g/mol
Exact Mass353.02
IUPAC Name2-(3,5-dichlorophenyl)-2-(phenylmethoxycarbonylamino)acetic acid
SMILESO=C(NC(C(=O)O)c1cc(Cl)cc(Cl)c1)OCc1ccccc1
InChIInChI=1S/C16H13Cl2NO4/c17-12-6-11(7-13(18)8-12)14(15(20)21)19-16(22)23-9-10-4-2-1-3-5-10/h1-8,14H,9H2,(H,19,22)(H,20,21)
InChIKeyLNNNZBBGZKPGQD-UHFFFAOYSA-N
XLogP4.05
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.19
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-phenyl-2-(phenylmethoxycarbonylamino)acetic acid
CID 819214
2-(4-chloro-3-fluorophenyl)-2-(phenylmethoxycarbonylamino)acetic acid
CID 22309299
2-(3-chloro-4-methoxyphenyl)-2-(phenylmethoxycarbonylamino)acetic acid
CID 103690041
(2S)-2-iodo-2-(phenylmethoxycarbonylamino)acetic acid
CID 126547050
2-(4,5-dibromothiophen-2-yl)-2-(phenylmethoxycarbonylamino)acetic acid
CID 102841122
3-(3-chlorophenyl)-2-(phenylmethoxycarbonylamino)propanoic acid
CID 22309203
2-(4-methylsulfonyloxyphenyl)-2-(phenylmethoxycarbonylamino)acetic acid
CID 87297584
2-(4-carbamimidoylphenyl)-2-(phenylmethoxycarbonylamino)acetic acid
CID 139908653
acetyl chloride;2-(phenylmethoxycarbonylamino)propanoic acid
CID 71437616
(2R,3S)-2-hydroxy-3-phenyl-3-(phenylmethoxycarbonylamino)propanoic acid
CID 15839659
2-[4-(difluoromethoxy)-3-ethoxyphenyl]-2-(phenylmethoxycarbonylamino)acetic acid
CID 113235736
3-(3-chloro-5-iodophenyl)-2-(phenylmethoxycarbonylamino)propanoic acid
CID 156692064

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichlorophenyl)-2-(phenylmethoxycarbonylamino)acetic acid?
The IUPAC name of 2-(3,5-dichlorophenyl)-2-(phenylmethoxycarbonylamino)acetic acid (CID 22309293) is 2-(3,5-dichlorophenyl)-2-(phenylmethoxycarbonylamino)acetic acid.
What is the SMILES notation for 2-(3,5-dichlorophenyl)-2-(phenylmethoxycarbonylamino)acetic acid?
The canonical SMILES for 2-(3,5-dichlorophenyl)-2-(phenylmethoxycarbonylamino)acetic acid is O=C(NC(C(=O)O)c1cc(Cl)cc(Cl)c1)OCc1ccccc1.
What is the InChIKey of 2-(3,5-dichlorophenyl)-2-(phenylmethoxycarbonylamino)acetic acid?
The InChIKey is LNNNZBBGZKPGQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2NO4/c17-12-6-11(7-13(18)8-12)14(15(20)21)19-16(22)23-9-10-4-2-1-3-5-10/h1-8,14H,9H2,(H,19,22)(H,20,21).
What are the key properties of 2-(3,5-dichlorophenyl)-2-(phenylmethoxycarbonylamino)acetic acid?
2-(3,5-dichlorophenyl)-2-(phenylmethoxycarbonylamino)acetic acid has a molecular weight of 354.19 g/mol, XLogP of 4.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichlorophenyl)-2-(phenylmethoxycarbonylamino)acetic acid is sourced from PubChem (CID 22309293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).