(2S)-2-(4-chlorophenyl)-2-(methylamino)-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide

C18H17ClN4O — CID 146585187

IUPAC(2S)-2-(4-chlorophenyl)-2-(methylamino)-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide
SMILESCN[C@H](C(=O)Nc1ccc(-c2cn[nH]c2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H17ClN4O/c1-20-17(13-2-6-15(19)7-3-13)18(24)23-16-8-4-12(5-9-16)14-10-21-22-11-14/h2-11,17,20H,1H3,(H,21,22)(H,23,24)/t17-/m0/s1
InChIKeyXCFWQMPEXFFJPJ-KRWDZBQOSA-N
MW340.81 g/mol
LogP3.63
Rot. Bonds5

About (2S)-2-(4-chlorophenyl)-2-(methylamino)-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide

(2S)-2-(4-chlorophenyl)-2-(methylamino)-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide (PubChem CID 146585187) has the molecular formula C18H17ClN4O and a molecular weight of 340.81 g/mol. Its IUPAC name is (2S)-2-(4-chlorophenyl)-2-(methylamino)-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide.

Molecular Properties

Compound Name(2S)-2-(4-chlorophenyl)-2-(methylamino)-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide
PubChem CID146585187
Molecular FormulaC18H17ClN4O
Molecular Weight340.81 g/mol
Exact Mass340.11
IUPAC Name(2S)-2-(4-chlorophenyl)-2-(methylamino)-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide
SMILESCN[C@H](C(=O)Nc1ccc(-c2cn[nH]c2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H17ClN4O/c1-20-17(13-2-6-15(19)7-3-13)18(24)23-16-8-4-12(5-9-16)14-10-21-22-11-14/h2-11,17,20H,1H3,(H,21,22)(H,23,24)/t17-/m0/s1
InChIKeyXCFWQMPEXFFJPJ-KRWDZBQOSA-N
XLogP3.63
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-chlorophenyl)-2-(methylamino)-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide?
The IUPAC name of (2S)-2-(4-chlorophenyl)-2-(methylamino)-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide (CID 146585187) is (2S)-2-(4-chlorophenyl)-2-(methylamino)-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide.
What is the SMILES notation for (2S)-2-(4-chlorophenyl)-2-(methylamino)-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide?
The canonical SMILES for (2S)-2-(4-chlorophenyl)-2-(methylamino)-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide is CN[C@H](C(=O)Nc1ccc(-c2cn[nH]c2)cc1)c1ccc(Cl)cc1.
What is the InChIKey of (2S)-2-(4-chlorophenyl)-2-(methylamino)-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide?
The InChIKey is XCFWQMPEXFFJPJ-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H17ClN4O/c1-20-17(13-2-6-15(19)7-3-13)18(24)23-16-8-4-12(5-9-16)14-10-21-22-11-14/h2-11,17,20H,1H3,(H,21,22)(H,23,24)/t17-/m0/s1.
What are the key properties of (2S)-2-(4-chlorophenyl)-2-(methylamino)-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide?
(2S)-2-(4-chlorophenyl)-2-(methylamino)-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide has a molecular weight of 340.81 g/mol, XLogP of 3.63, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-chlorophenyl)-2-(methylamino)-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide is sourced from PubChem (CID 146585187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).