(4-chlorophenyl)methyl 2-[[2-[(4-methylbenzoyl)amino]acetyl]amino]acetate

C19H19ClN2O4 — CID 5010398

IUPAC(4-chlorophenyl)methyl 2-[[2-[(4-methylbenzoyl)amino]acetyl]amino]acetate
SMILESCc1ccc(C(=O)NCC(=O)NCC(=O)OCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H19ClN2O4/c1-13-2-6-15(7-3-13)19(25)22-10-17(23)21-11-18(24)26-12-14-4-8-16(20)9-5-14/h2-9H,10-12H2,1H3,(H,21,23)(H,22,25)
InChIKeyVIRLSUBVRBYDLR-UHFFFAOYSA-N
MW374.82 g/mol
LogP2.24
Rot. Bonds7

About (4-chlorophenyl)methyl 2-[[2-[(4-methylbenzoyl)amino]acetyl]amino]acetate

(4-chlorophenyl)methyl 2-[[2-[(4-methylbenzoyl)amino]acetyl]amino]acetate (PubChem CID 5010398) has the molecular formula C19H19ClN2O4 and a molecular weight of 374.82 g/mol. Its IUPAC name is (4-chlorophenyl)methyl 2-[[2-[(4-methylbenzoyl)amino]acetyl]amino]acetate.

Molecular Properties

Compound Name(4-chlorophenyl)methyl 2-[[2-[(4-methylbenzoyl)amino]acetyl]amino]acetate
PubChem CID5010398
Molecular FormulaC19H19ClN2O4
Molecular Weight374.82 g/mol
Exact Mass374.10
IUPAC Name(4-chlorophenyl)methyl 2-[[2-[(4-methylbenzoyl)amino]acetyl]amino]acetate
SMILESCc1ccc(C(=O)NCC(=O)NCC(=O)OCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H19ClN2O4/c1-13-2-6-15(7-3-13)19(25)22-10-17(23)21-11-18(24)26-12-14-4-8-16(20)9-5-14/h2-9H,10-12H2,1H3,(H,21,23)(H,22,25)
InChIKeyVIRLSUBVRBYDLR-UHFFFAOYSA-N
XLogP2.24
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.82
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)methyl 2-[[2-[(4-methylbenzoyl)amino]acetyl]amino]acetate?
The IUPAC name of (4-chlorophenyl)methyl 2-[[2-[(4-methylbenzoyl)amino]acetyl]amino]acetate (CID 5010398) is (4-chlorophenyl)methyl 2-[[2-[(4-methylbenzoyl)amino]acetyl]amino]acetate.
What is the SMILES notation for (4-chlorophenyl)methyl 2-[[2-[(4-methylbenzoyl)amino]acetyl]amino]acetate?
The canonical SMILES for (4-chlorophenyl)methyl 2-[[2-[(4-methylbenzoyl)amino]acetyl]amino]acetate is Cc1ccc(C(=O)NCC(=O)NCC(=O)OCc2ccc(Cl)cc2)cc1.
What is the InChIKey of (4-chlorophenyl)methyl 2-[[2-[(4-methylbenzoyl)amino]acetyl]amino]acetate?
The InChIKey is VIRLSUBVRBYDLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O4/c1-13-2-6-15(7-3-13)19(25)22-10-17(23)21-11-18(24)26-12-14-4-8-16(20)9-5-14/h2-9H,10-12H2,1H3,(H,21,23)(H,22,25).
What are the key properties of (4-chlorophenyl)methyl 2-[[2-[(4-methylbenzoyl)amino]acetyl]amino]acetate?
(4-chlorophenyl)methyl 2-[[2-[(4-methylbenzoyl)amino]acetyl]amino]acetate has a molecular weight of 374.82 g/mol, XLogP of 2.24, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)methyl 2-[[2-[(4-methylbenzoyl)amino]acetyl]amino]acetate is sourced from PubChem (CID 5010398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).