5-(3-chloro-2-fluorophenyl)-4-(phenylmethoxycarbonylamino)pentanoic acid

C19H19ClFNO4 — CID 104930300

IUPAC5-(3-chloro-2-fluorophenyl)-4-(phenylmethoxycarbonylamino)pentanoic acid
SMILESO=C(O)CCC(Cc1cccc(Cl)c1F)NC(=O)OCc1ccccc1
InChIInChI=1S/C19H19ClFNO4/c20-16-8-4-7-14(18(16)21)11-15(9-10-17(23)24)22-19(25)26-12-13-5-2-1-3-6-13/h1-8,15H,9-12H2,(H,22,25)(H,23,24)
InChIKeyQKXKVOAQMRDMKM-UHFFFAOYSA-N
MW379.82 g/mol
LogP4.18
Rot. Bonds8

About 5-(3-chloro-2-fluorophenyl)-4-(phenylmethoxycarbonylamino)pentanoic acid

5-(3-chloro-2-fluorophenyl)-4-(phenylmethoxycarbonylamino)pentanoic acid (PubChem CID 104930300) has the molecular formula C19H19ClFNO4 and a molecular weight of 379.82 g/mol. Its IUPAC name is 5-(3-chloro-2-fluorophenyl)-4-(phenylmethoxycarbonylamino)pentanoic acid.

Molecular Properties

Compound Name5-(3-chloro-2-fluorophenyl)-4-(phenylmethoxycarbonylamino)pentanoic acid
PubChem CID104930300
Molecular FormulaC19H19ClFNO4
Molecular Weight379.82 g/mol
Exact Mass379.10
IUPAC Name5-(3-chloro-2-fluorophenyl)-4-(phenylmethoxycarbonylamino)pentanoic acid
SMILESO=C(O)CCC(Cc1cccc(Cl)c1F)NC(=O)OCc1ccccc1
InChIInChI=1S/C19H19ClFNO4/c20-16-8-4-7-14(18(16)21)11-15(9-10-17(23)24)22-19(25)26-12-13-5-2-1-3-6-13/h1-8,15H,9-12H2,(H,22,25)(H,23,24)
InChIKeyQKXKVOAQMRDMKM-UHFFFAOYSA-N
XLogP4.18
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.82
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-(3-chloro-2-fluorophenyl)-4-(phenylmethoxycarbonylamino)pentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(4-chloro-2-fluorophenyl)-4-(phenylmethoxycarbonylamino)pentanoic acid
CID 104980215
5-(3-chloro-4-fluorophenyl)-4-(phenylmethoxycarbonylamino)pentanoic acid
CID 103775222
5-(2-methylquinolin-4-yl)-4-(phenylmethoxycarbonylamino)pentanoic acid
CID 113247411
(4S)-5-amino-5-oxo-4-(phenylmethoxycarbonylamino)pentanoic acid
CID 6992292
5-(1-ethylpyrazol-4-yl)-4-(phenylmethoxycarbonylamino)pentanoic acid
CID 103570664
[1-(3-chloro-2-fluorophenyl)-3-(2-chlorophenyl)propan-2-yl]hydrazine
CID 105264393
5-oxo-4-(phenylmethoxycarbonylamino)pentanoic acid
CID 18711702
benzyl N-[(2S)-1-fluoro-5-oxo-5-(propan-2-ylamino)pentan-2-yl]carbamate
CID 13477585
5-hydroxy-3-(phenylmethoxycarbonylamino)pentanoic acid
CID 129219869
4-(phenylmethoxycarbonylamino)hex-5-enoic acid
CID 90135730
benzyl N-[(2S)-1-hydroxy-5-oxohexan-2-yl]carbamate
CID 66600444
4-[(2-chlorophenyl)methylamino]-5-phenylpentanoic acid
CID 120511981

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-2-fluorophenyl)-4-(phenylmethoxycarbonylamino)pentanoic acid?
The IUPAC name of 5-(3-chloro-2-fluorophenyl)-4-(phenylmethoxycarbonylamino)pentanoic acid (CID 104930300) is 5-(3-chloro-2-fluorophenyl)-4-(phenylmethoxycarbonylamino)pentanoic acid.
What is the SMILES notation for 5-(3-chloro-2-fluorophenyl)-4-(phenylmethoxycarbonylamino)pentanoic acid?
The canonical SMILES for 5-(3-chloro-2-fluorophenyl)-4-(phenylmethoxycarbonylamino)pentanoic acid is O=C(O)CCC(Cc1cccc(Cl)c1F)NC(=O)OCc1ccccc1.
What is the InChIKey of 5-(3-chloro-2-fluorophenyl)-4-(phenylmethoxycarbonylamino)pentanoic acid?
The InChIKey is QKXKVOAQMRDMKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClFNO4/c20-16-8-4-7-14(18(16)21)11-15(9-10-17(23)24)22-19(25)26-12-13-5-2-1-3-6-13/h1-8,15H,9-12H2,(H,22,25)(H,23,24).
What are the key properties of 5-(3-chloro-2-fluorophenyl)-4-(phenylmethoxycarbonylamino)pentanoic acid?
5-(3-chloro-2-fluorophenyl)-4-(phenylmethoxycarbonylamino)pentanoic acid has a molecular weight of 379.82 g/mol, XLogP of 4.18, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-2-fluorophenyl)-4-(phenylmethoxycarbonylamino)pentanoic acid is sourced from PubChem (CID 104930300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).