2-[[4-[[2-(4-chlorophenoxy)acetyl]amino]benzoyl]amino]acetic acid

C17H15ClN2O5 — CID 45434797

IUPAC2-[[4-[[2-(4-chlorophenoxy)acetyl]amino]benzoyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1ccc(NC(=O)COc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H15ClN2O5/c18-12-3-7-14(8-4-12)25-10-15(21)20-13-5-1-11(2-6-13)17(24)19-9-16(22)23/h1-8H,9-10H2,(H,19,24)(H,20,21)(H,22,23)
InChIKeyPBEXWCBVPSICLK-UHFFFAOYSA-N
MW362.77 g/mol
LogP2.17
Rot. Bonds7

About 2-[[4-[[2-(4-chlorophenoxy)acetyl]amino]benzoyl]amino]acetic acid

2-[[4-[[2-(4-chlorophenoxy)acetyl]amino]benzoyl]amino]acetic acid (PubChem CID 45434797) has the molecular formula C17H15ClN2O5 and a molecular weight of 362.77 g/mol. Its IUPAC name is 2-[[4-[[2-(4-chlorophenoxy)acetyl]amino]benzoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[4-[[2-(4-chlorophenoxy)acetyl]amino]benzoyl]amino]acetic acid
PubChem CID45434797
Molecular FormulaC17H15ClN2O5
Molecular Weight362.77 g/mol
Exact Mass362.07
IUPAC Name2-[[4-[[2-(4-chlorophenoxy)acetyl]amino]benzoyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1ccc(NC(=O)COc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H15ClN2O5/c18-12-3-7-14(8-4-12)25-10-15(21)20-13-5-1-11(2-6-13)17(24)19-9-16(22)23/h1-8H,9-10H2,(H,19,24)(H,20,21)(H,22,23)
InChIKeyPBEXWCBVPSICLK-UHFFFAOYSA-N
XLogP2.17
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.77
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-[[2-(2-chlorophenoxy)acetyl]amino]benzoyl]amino]acetic acid
CID 45434890
2-[[4-(4-chlorophenoxy)benzoyl]amino]acetic acid
CID 66812377
4-[[2-(4-chlorophenoxy)acetyl]amino]-N-[2-(cyclopropanecarbonylamino)ethyl]benzamide
CID 121062397
4-chloro-N-[4-[2-(methylamino)-2-oxoethoxy]phenyl]benzamide
CID 112774949
2-[[4-[[2-(4-ethoxyphenyl)acetyl]amino]benzoyl]amino]acetic acid
CID 45434962
methyl 2-[[4-[[2-(4-ethoxyphenoxy)acetyl]amino]benzoyl]amino]acetate
CID 46637026
N-[(E)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-4-chlorobenzamide
CID 96877628
4-(2-anilino-2-oxoethoxy)-N-phenylbenzamide
CID 10545541
4-chloro-N-[2-[4-(difluoromethoxy)anilino]-2-oxoethyl]benzamide
CID 9405088
4-[[2-(4-chlorophenoxy)acetyl]amino]-N-(2-methoxyphenyl)benzamide
CID 7816201
N-[2-[[4-[[2-(4-chlorophenoxy)acetyl]amino]benzoyl]amino]ethyl]oxolane-2-carboxamide
CID 121062573
4-chloro-N-[2-(4-methylanilino)-2-oxoethyl]benzamide
CID 2989490

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[[2-(4-chlorophenoxy)acetyl]amino]benzoyl]amino]acetic acid?
The IUPAC name of 2-[[4-[[2-(4-chlorophenoxy)acetyl]amino]benzoyl]amino]acetic acid (CID 45434797) is 2-[[4-[[2-(4-chlorophenoxy)acetyl]amino]benzoyl]amino]acetic acid.
What is the SMILES notation for 2-[[4-[[2-(4-chlorophenoxy)acetyl]amino]benzoyl]amino]acetic acid?
The canonical SMILES for 2-[[4-[[2-(4-chlorophenoxy)acetyl]amino]benzoyl]amino]acetic acid is O=C(O)CNC(=O)c1ccc(NC(=O)COc2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-[[4-[[2-(4-chlorophenoxy)acetyl]amino]benzoyl]amino]acetic acid?
The InChIKey is PBEXWCBVPSICLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O5/c18-12-3-7-14(8-4-12)25-10-15(21)20-13-5-1-11(2-6-13)17(24)19-9-16(22)23/h1-8H,9-10H2,(H,19,24)(H,20,21)(H,22,23).
What are the key properties of 2-[[4-[[2-(4-chlorophenoxy)acetyl]amino]benzoyl]amino]acetic acid?
2-[[4-[[2-(4-chlorophenoxy)acetyl]amino]benzoyl]amino]acetic acid has a molecular weight of 362.77 g/mol, XLogP of 2.17, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[[2-(4-chlorophenoxy)acetyl]amino]benzoyl]amino]acetic acid is sourced from PubChem (CID 45434797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).