2-[5-benzamido-2-(4-chlorophenyl)-6-oxopyrimidin-1-yl]acetic acid

C19H14ClN3O4 — CID 10199998

IUPAC2-[5-benzamido-2-(4-chlorophenyl)-6-oxopyrimidin-1-yl]acetic acid
SMILESO=C(O)Cn1c(-c2ccc(Cl)cc2)ncc(NC(=O)c2ccccc2)c1=O
InChIInChI=1S/C19H14ClN3O4/c20-14-8-6-12(7-9-14)17-21-10-15(19(27)23(17)11-16(24)25)22-18(26)13-4-2-1-3-5-13/h1-10H,11H2,(H,22,26)(H,24,25)
InChIKeyNUERHWIZAMCKJX-UHFFFAOYSA-N
MW383.79 g/mol
LogP2.90
Rot. Bonds5

About 2-[5-benzamido-2-(4-chlorophenyl)-6-oxopyrimidin-1-yl]acetic acid

2-[5-benzamido-2-(4-chlorophenyl)-6-oxopyrimidin-1-yl]acetic acid (PubChem CID 10199998) has the molecular formula C19H14ClN3O4 and a molecular weight of 383.79 g/mol. Its IUPAC name is 2-[5-benzamido-2-(4-chlorophenyl)-6-oxopyrimidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[5-benzamido-2-(4-chlorophenyl)-6-oxopyrimidin-1-yl]acetic acid
PubChem CID10199998
Molecular FormulaC19H14ClN3O4
Molecular Weight383.79 g/mol
Exact Mass383.07
IUPAC Name2-[5-benzamido-2-(4-chlorophenyl)-6-oxopyrimidin-1-yl]acetic acid
SMILESO=C(O)Cn1c(-c2ccc(Cl)cc2)ncc(NC(=O)c2ccccc2)c1=O
InChIInChI=1S/C19H14ClN3O4/c20-14-8-6-12(7-9-14)17-21-10-15(19(27)23(17)11-16(24)25)22-18(26)13-4-2-1-3-5-13/h1-10H,11H2,(H,22,26)(H,24,25)
InChIKeyNUERHWIZAMCKJX-UHFFFAOYSA-N
XLogP2.90
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.79
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-benzamido-2-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]acetic acid
CID 10293083
2-[2-(4-chlorophenyl)-6-oxo-5-(phenylmethoxycarbonylamino)pyrimidin-1-yl]acetic acid
CID 10093188
2-[5-benzamido-2-(3-bromophenyl)-6-oxopyrimidin-1-yl]acetic acid
CID 10159611
N-[1-ethyl-2-(4-methoxyphenyl)-6-oxopyrimidin-5-yl]benzamide
CID 142150656
2-[5-[[3-fluoro-4-(3-methoxyphenyl)benzoyl]amino]-6-oxo-2-phenylpyrimidin-1-yl]acetic acid
CID 175993533
N-(7-chloro-4-oxopyrimido[1,2-b]pyridazin-3-yl)benzamide
CID 14639284
2-[5-(methoxymethyl)-6-oxo-2-phenylpyrimidin-1-yl]acetic acid
CID 18366637
4-[1-(carboxymethyl)-5-[4-[3-(carboxymethyl)-2-(4-carboxyphenyl)imidazol-4-yl]phenyl]imidazol-2-yl]benzoic acid
CID 71231184
N-[1-(2-amino-2-oxoethyl)-2-(4-fluorophenyl)-6-oxopyrimidin-5-yl]-3-phenylpropanamide
CID 18725852
N-[5-(3,4-dichlorophenyl)-2-pyridinyl]benzamide
CID 24949712
2-[[2-(5-acetamido-6-oxo-2-phenylpyrimidin-1-yl)acetyl]amino]-3-methylbutanoic acid
CID 23139554
2-[2-[4-(tert-butylsulfamoylmethoxy)phenyl]-6-oxo-5-(3-phenylpropylamino)pyrimidin-1-yl]acetic acid
CID 170789832

Frequently Asked Questions

What is the IUPAC name of 2-[5-benzamido-2-(4-chlorophenyl)-6-oxopyrimidin-1-yl]acetic acid?
The IUPAC name of 2-[5-benzamido-2-(4-chlorophenyl)-6-oxopyrimidin-1-yl]acetic acid (CID 10199998) is 2-[5-benzamido-2-(4-chlorophenyl)-6-oxopyrimidin-1-yl]acetic acid.
What is the SMILES notation for 2-[5-benzamido-2-(4-chlorophenyl)-6-oxopyrimidin-1-yl]acetic acid?
The canonical SMILES for 2-[5-benzamido-2-(4-chlorophenyl)-6-oxopyrimidin-1-yl]acetic acid is O=C(O)Cn1c(-c2ccc(Cl)cc2)ncc(NC(=O)c2ccccc2)c1=O.
What is the InChIKey of 2-[5-benzamido-2-(4-chlorophenyl)-6-oxopyrimidin-1-yl]acetic acid?
The InChIKey is NUERHWIZAMCKJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3O4/c20-14-8-6-12(7-9-14)17-21-10-15(19(27)23(17)11-16(24)25)22-18(26)13-4-2-1-3-5-13/h1-10H,11H2,(H,22,26)(H,24,25).
What are the key properties of 2-[5-benzamido-2-(4-chlorophenyl)-6-oxopyrimidin-1-yl]acetic acid?
2-[5-benzamido-2-(4-chlorophenyl)-6-oxopyrimidin-1-yl]acetic acid has a molecular weight of 383.79 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-benzamido-2-(4-chlorophenyl)-6-oxopyrimidin-1-yl]acetic acid is sourced from PubChem (CID 10199998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).