(2R)-2-(3-chloro-4-fluoro-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]acetamide

C30H25Cl2FN6O4 — CID 98097223

About (2R)-2-(3-chloro-4-fluoro-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]acetamide

(2R)-2-(3-chloro-4-fluoro-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]acetamide (PubChem CID 98097223) has the molecular formula C30H25Cl2FN6O4 and a molecular weight of 623.47 g/mol. Its IUPAC name is (2R)-2-(3-chloro-4-fluoro-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]acetamide.

Molecular Properties

• Compound Name: (2R)-2-(3-chloro-4-fluoro-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]acetamide
• PubChem CID: 98097223
• Molecular Formula: C30H25Cl2FN6O4
• Molecular Weight: 623.47 g/mol
• Exact Mass: 622.13
• IUPAC Name: (2R)-2-(3-chloro-4-fluoro-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]acetamide
• SMILES: COc1ccc(CNC(=O)[C@@H](c2ccc(Cl)cc2)N(C(=O)Cn2nnc(-c3ccc(C)o3)n2)c2ccc(F)c(Cl)c2)cc1
• InChI: InChI=1S/C30H25Cl2FN6O4/c1-18-3-14-26(43-18)29-35-37-38(36-29)17-27(40)39(22-10-13-25(33)24(32)15-22)28(20-6-8-21(31)9-7-20)30(41)34-16-19-4-11-23(42-2)12-5-19/h3-15,28H,16-17H2,1-2H3,(H,34,41)/t28-/m1/s1
• InChIKey: DMKSNURYODSSHH-MUUNZHRXSA-N
• XLogP: 5.79
• TPSA: 115.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	623.47
LogP ≤ 5	5.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-chloro-4-fluoro-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]acetamide?

The IUPAC name of (2R)-2-(3-chloro-4-fluoro-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]acetamide (CID 98097223) is (2R)-2-(3-chloro-4-fluoro-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]acetamide.

What is the SMILES notation for (2R)-2-(3-chloro-4-fluoro-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]acetamide?

The canonical SMILES for (2R)-2-(3-chloro-4-fluoro-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]acetamide is COc1ccc(CNC(=O)[C@@H](c2ccc(Cl)cc2)N(C(=O)Cn2nnc(-c3ccc(C)o3)n2)c2ccc(F)c(Cl)c2)cc1.

What is the InChIKey of (2R)-2-(3-chloro-4-fluoro-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]acetamide?

The InChIKey is DMKSNURYODSSHH-MUUNZHRXSA-N. The full InChI is InChI=1S/C30H25Cl2FN6O4/c1-18-3-14-26(43-18)29-35-37-38(36-29)17-27(40)39(22-10-13-25(33)24(32)15-22)28(20-6-8-21(31)9-7-20)30(41)34-16-19-4-11-23(42-2)12-5-19/h3-15,28H,16-17H2,1-2H3,(H,34,41)/t28-/m1/s1.

What are the key properties of (2R)-2-(3-chloro-4-fluoro-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]acetamide?

(2R)-2-(3-chloro-4-fluoro-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]acetamide has a molecular weight of 623.47 g/mol, XLogP of 5.79, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-(3-chloro-4-fluoro-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 98097223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).