(3-chlorophenyl)methyl 3-(phenylcarbamoylamino)propanoate

C17H17ClN2O3 — CID 7805492

IUPAC(3-chlorophenyl)methyl 3-(phenylcarbamoylamino)propanoate
SMILESO=C(NCCC(=O)OCc1cccc(Cl)c1)Nc1ccccc1
InChIInChI=1S/C17H17ClN2O3/c18-14-6-4-5-13(11-14)12-23-16(21)9-10-19-17(22)20-15-7-2-1-3-8-15/h1-8,11H,9-10,12H2,(H2,19,20,22)
InChIKeyZOEGKMKJZSAKHV-UHFFFAOYSA-N
MW332.79 g/mol
LogP3.60
Rot. Bonds6

About (3-chlorophenyl)methyl 3-(phenylcarbamoylamino)propanoate

(3-chlorophenyl)methyl 3-(phenylcarbamoylamino)propanoate (PubChem CID 7805492) has the molecular formula C17H17ClN2O3 and a molecular weight of 332.79 g/mol. Its IUPAC name is (3-chlorophenyl)methyl 3-(phenylcarbamoylamino)propanoate.

Molecular Properties

Compound Name(3-chlorophenyl)methyl 3-(phenylcarbamoylamino)propanoate
PubChem CID7805492
Molecular FormulaC17H17ClN2O3
Molecular Weight332.79 g/mol
Exact Mass332.09
IUPAC Name(3-chlorophenyl)methyl 3-(phenylcarbamoylamino)propanoate
SMILESO=C(NCCC(=O)OCc1cccc(Cl)c1)Nc1ccccc1
InChIInChI=1S/C17H17ClN2O3/c18-14-6-4-5-13(11-14)12-23-16(21)9-10-19-17(22)20-15-7-2-1-3-8-15/h1-8,11H,9-10,12H2,(H2,19,20,22)
InChIKeyZOEGKMKJZSAKHV-UHFFFAOYSA-N
XLogP3.60
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[(3-chlorophenyl)carbamoylamino]propanoate
CID 3440134
(3-chlorophenyl)methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 8734116
2-(2,4-dichlorophenoxy)ethyl 3-(phenylcarbamoylamino)propanoate
CID 7805347
[2-(3-ethylanilino)-2-oxoethyl] 3-(phenylcarbamoylamino)propanoate
CID 7805318
2-methoxyethyl 3-(phenylcarbamoylamino)propanoate
CID 42242981
(3-chlorophenyl)methyl 2-(3-chloroanilino)acetate
CID 65127418
(2-cyclopropylpyrimidin-5-yl)methyl 3-(phenylcarbamoylamino)propanoate
CID 166270131
(6-chloro-4H-1,3-benzodioxin-8-yl)methyl 3-(phenylcarbamoylamino)propanoate
CID 7805434
[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 3-(phenylcarbamoylamino)propanoate
CID 7805358
benzyl 2-[3-(3-chlorophenyl)propanoylamino]acetate
CID 51280706
3-(3-chlorophenyl)-N-phenylpropanamide
CID 1407295
bis[(3-chlorophenyl)methyl] carbonate
CID 44719399

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)methyl 3-(phenylcarbamoylamino)propanoate?
The IUPAC name of (3-chlorophenyl)methyl 3-(phenylcarbamoylamino)propanoate (CID 7805492) is (3-chlorophenyl)methyl 3-(phenylcarbamoylamino)propanoate.
What is the SMILES notation for (3-chlorophenyl)methyl 3-(phenylcarbamoylamino)propanoate?
The canonical SMILES for (3-chlorophenyl)methyl 3-(phenylcarbamoylamino)propanoate is O=C(NCCC(=O)OCc1cccc(Cl)c1)Nc1ccccc1.
What is the InChIKey of (3-chlorophenyl)methyl 3-(phenylcarbamoylamino)propanoate?
The InChIKey is ZOEGKMKJZSAKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O3/c18-14-6-4-5-13(11-14)12-23-16(21)9-10-19-17(22)20-15-7-2-1-3-8-15/h1-8,11H,9-10,12H2,(H2,19,20,22).
What are the key properties of (3-chlorophenyl)methyl 3-(phenylcarbamoylamino)propanoate?
(3-chlorophenyl)methyl 3-(phenylcarbamoylamino)propanoate has a molecular weight of 332.79 g/mol, XLogP of 3.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)methyl 3-(phenylcarbamoylamino)propanoate is sourced from PubChem (CID 7805492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).