2-(4-chlorophenyl)-2-(N-[2-[(3-methylphenyl)carbamoylamino]acetyl]anilino)acetic acid

C24H22ClN3O4 — CID 18951163

IUPAC2-(4-chlorophenyl)-2-(N-[2-[(3-methylphenyl)carbamoylamino]acetyl]anilino)acetic acid
SMILESCc1cccc(NC(=O)NCC(=O)N(c2ccccc2)C(C(=O)O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C24H22ClN3O4/c1-16-6-5-7-19(14-16)27-24(32)26-15-21(29)28(20-8-3-2-4-9-20)22(23(30)31)17-10-12-18(25)13-11-17/h2-14,22H,15H2,1H3,(H,30,31)(H2,26,27,32)
InChIKeyOZMDYAGCQFSZAM-UHFFFAOYSA-N
MW451.91 g/mol
LogP4.63
Rot. Bonds7

About 2-(4-chlorophenyl)-2-(N-[2-[(3-methylphenyl)carbamoylamino]acetyl]anilino)acetic acid

2-(4-chlorophenyl)-2-(N-[2-[(3-methylphenyl)carbamoylamino]acetyl]anilino)acetic acid (PubChem CID 18951163) has the molecular formula C24H22ClN3O4 and a molecular weight of 451.91 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-(N-[2-[(3-methylphenyl)carbamoylamino]acetyl]anilino)acetic acid.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-(N-[2-[(3-methylphenyl)carbamoylamino]acetyl]anilino)acetic acid
PubChem CID18951163
Molecular FormulaC24H22ClN3O4
Molecular Weight451.91 g/mol
Exact Mass451.13
IUPAC Name2-(4-chlorophenyl)-2-(N-[2-[(3-methylphenyl)carbamoylamino]acetyl]anilino)acetic acid
SMILESCc1cccc(NC(=O)NCC(=O)N(c2ccccc2)C(C(=O)O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C24H22ClN3O4/c1-16-6-5-7-19(14-16)27-24(32)26-15-21(29)28(20-8-3-2-4-9-20)22(23(30)31)17-10-12-18(25)13-11-17/h2-14,22H,15H2,1H3,(H,30,31)(H2,26,27,32)
InChIKeyOZMDYAGCQFSZAM-UHFFFAOYSA-N
XLogP4.63
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.91
LogP ≤ 54.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(N-[2-[(3-methylphenyl)carbamoylamino]acetyl]anilino)propanoic acid
CID 19754797
2-(N-[2-[(3-methylphenyl)carbamoylamino]acetyl]anilino)acetic acid
CID 18951141
N-[2-(3-methylanilino)-2-oxoethyl]-2-[(3-methylphenyl)carbamoylamino]-N-phenylacetamide
CID 14996931
N-[2-(benzylamino)-2-oxoethyl]-2-[(3-methylphenyl)carbamoylamino]-N-phenylacetamide
CID 14996884
2-[2-[[2-(N-methylanilino)-2-oxoethyl]-[2-[(3-methylphenyl)carbamoylamino]acetyl]amino]phenyl]sulfanylacetic acid
CID 139763574
1-(3-methyl-2-oxobutyl)-3-(3-methylphenyl)urea
CID 64994342
2-[(3-methylphenyl)carbamoylamino]acetamide
CID 47122532
2-[(3,4-difluorophenyl)carbamoylamino]-N-(3-methylphenyl)acetamide
CID 42663674
1-(3-methylphenyl)-3-(2-methylprop-2-enyl)urea
CID 114619451
3-[(4-chlorophenyl)carbamoylamino]-N-methyl-N-phenylbenzamide
CID 17227739
3-(4-chlorophenyl)-3-(3-methylanilino)-1-phenylpropan-1-one
CID 132592096
N-(3,3-dimethyl-1-oxobutan-2-yl)-2-[(3-methylphenyl)carbamoylamino]-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 57250252

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-(N-[2-[(3-methylphenyl)carbamoylamino]acetyl]anilino)acetic acid?
The IUPAC name of 2-(4-chlorophenyl)-2-(N-[2-[(3-methylphenyl)carbamoylamino]acetyl]anilino)acetic acid (CID 18951163) is 2-(4-chlorophenyl)-2-(N-[2-[(3-methylphenyl)carbamoylamino]acetyl]anilino)acetic acid.
What is the SMILES notation for 2-(4-chlorophenyl)-2-(N-[2-[(3-methylphenyl)carbamoylamino]acetyl]anilino)acetic acid?
The canonical SMILES for 2-(4-chlorophenyl)-2-(N-[2-[(3-methylphenyl)carbamoylamino]acetyl]anilino)acetic acid is Cc1cccc(NC(=O)NCC(=O)N(c2ccccc2)C(C(=O)O)c2ccc(Cl)cc2)c1.
What is the InChIKey of 2-(4-chlorophenyl)-2-(N-[2-[(3-methylphenyl)carbamoylamino]acetyl]anilino)acetic acid?
The InChIKey is OZMDYAGCQFSZAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN3O4/c1-16-6-5-7-19(14-16)27-24(32)26-15-21(29)28(20-8-3-2-4-9-20)22(23(30)31)17-10-12-18(25)13-11-17/h2-14,22H,15H2,1H3,(H,30,31)(H2,26,27,32).
What are the key properties of 2-(4-chlorophenyl)-2-(N-[2-[(3-methylphenyl)carbamoylamino]acetyl]anilino)acetic acid?
2-(4-chlorophenyl)-2-(N-[2-[(3-methylphenyl)carbamoylamino]acetyl]anilino)acetic acid has a molecular weight of 451.91 g/mol, XLogP of 4.63, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-(N-[2-[(3-methylphenyl)carbamoylamino]acetyl]anilino)acetic acid is sourced from PubChem (CID 18951163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).