2-(3-chloro-4-methoxyphenyl)-2-[(1-ethylimidazole-2-carbonyl)amino]acetic acid

C15H16ClN3O4 — CID 167927222

IUPAC2-(3-chloro-4-methoxyphenyl)-2-[(1-ethylimidazole-2-carbonyl)amino]acetic acid
SMILESCCn1ccnc1C(=O)NC(C(=O)O)c1ccc(OC)c(Cl)c1
InChIInChI=1S/C15H16ClN3O4/c1-3-19-7-6-17-13(19)14(20)18-12(15(21)22)9-4-5-11(23-2)10(16)8-9/h4-8,12H,3H2,1-2H3,(H,18,20)(H,21,22)
InChIKeyUOOFFFWMLHQVIP-UHFFFAOYSA-N
MW337.76 g/mol
LogP2.12
Rot. Bonds6

About 2-(3-chloro-4-methoxyphenyl)-2-[(1-ethylimidazole-2-carbonyl)amino]acetic acid

2-(3-chloro-4-methoxyphenyl)-2-[(1-ethylimidazole-2-carbonyl)amino]acetic acid (PubChem CID 167927222) has the molecular formula C15H16ClN3O4 and a molecular weight of 337.76 g/mol. Its IUPAC name is 2-(3-chloro-4-methoxyphenyl)-2-[(1-ethylimidazole-2-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-(3-chloro-4-methoxyphenyl)-2-[(1-ethylimidazole-2-carbonyl)amino]acetic acid
PubChem CID167927222
Molecular FormulaC15H16ClN3O4
Molecular Weight337.76 g/mol
Exact Mass337.08
IUPAC Name2-(3-chloro-4-methoxyphenyl)-2-[(1-ethylimidazole-2-carbonyl)amino]acetic acid
SMILESCCn1ccnc1C(=O)NC(C(=O)O)c1ccc(OC)c(Cl)c1
InChIInChI=1S/C15H16ClN3O4/c1-3-19-7-6-17-13(19)14(20)18-12(15(21)22)9-4-5-11(23-2)10(16)8-9/h4-8,12H,3H2,1-2H3,(H,18,20)(H,21,22)
InChIKeyUOOFFFWMLHQVIP-UHFFFAOYSA-N
XLogP2.12
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.76
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-chloro-4-methoxyphenyl)-2-(phenylmethoxycarbonylamino)acetic acid
CID 103690041
2-(3-chloro-4-methoxyphenyl)-2-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]acetic acid
CID 72837719
2-(3-chloro-4-methoxyphenyl)-2-(2-methylanilino)acetic acid
CID 65026303
[1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 1-ethylimidazole-2-carboxylate
CID 4785233
2-(3-chloro-4-methoxyphenyl)-2-(2-methoxyethylamino)acetamide
CID 65026801
2-(3-chloro-4-methoxyphenyl)-2-ethoxyacetic acid
CID 116769331
2-(3-chloro-4-methoxyphenyl)-2-(3-methylanilino)acetic acid
CID 65026414
3-amino-3-(3-chloro-4-methoxyphenyl)propanoic acid
CID 6484258
3-(3-chloro-4-methoxyphenyl)-4,4,4-trifluorobutanoic acid
CID 65021359
(1-ethylimidazol-2-yl)-(4-fluoro-3-methoxyphenyl)methanone
CID 81285036
2-(butan-2-ylamino)-2-(3-chloro-4-methoxyphenyl)acetamide
CID 65026746
2-(3-chloro-4-methoxyphenyl)-2-(3-fluoroanilino)acetic acid
CID 65026525

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methoxyphenyl)-2-[(1-ethylimidazole-2-carbonyl)amino]acetic acid?
The IUPAC name of 2-(3-chloro-4-methoxyphenyl)-2-[(1-ethylimidazole-2-carbonyl)amino]acetic acid (CID 167927222) is 2-(3-chloro-4-methoxyphenyl)-2-[(1-ethylimidazole-2-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-(3-chloro-4-methoxyphenyl)-2-[(1-ethylimidazole-2-carbonyl)amino]acetic acid?
The canonical SMILES for 2-(3-chloro-4-methoxyphenyl)-2-[(1-ethylimidazole-2-carbonyl)amino]acetic acid is CCn1ccnc1C(=O)NC(C(=O)O)c1ccc(OC)c(Cl)c1.
What is the InChIKey of 2-(3-chloro-4-methoxyphenyl)-2-[(1-ethylimidazole-2-carbonyl)amino]acetic acid?
The InChIKey is UOOFFFWMLHQVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O4/c1-3-19-7-6-17-13(19)14(20)18-12(15(21)22)9-4-5-11(23-2)10(16)8-9/h4-8,12H,3H2,1-2H3,(H,18,20)(H,21,22).
What are the key properties of 2-(3-chloro-4-methoxyphenyl)-2-[(1-ethylimidazole-2-carbonyl)amino]acetic acid?
2-(3-chloro-4-methoxyphenyl)-2-[(1-ethylimidazole-2-carbonyl)amino]acetic acid has a molecular weight of 337.76 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methoxyphenyl)-2-[(1-ethylimidazole-2-carbonyl)amino]acetic acid is sourced from PubChem (CID 167927222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).