(2R)-2-amino-3-(3,4-dichlorophenyl)-N-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]propanamide

C19H18Cl2N4O2 — CID 118625560

IUPAC(2R)-2-amino-3-(3,4-dichlorophenyl)-N-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]propanamide
SMILESCOc1cc(NC(=O)[C@H](N)Cc2ccc(Cl)c(Cl)c2)ccc1-c1cn[nH]c1
InChIInChI=1S/C19H18Cl2N4O2/c1-27-18-8-13(3-4-14(18)12-9-23-24-10-12)25-19(26)17(22)7-11-2-5-15(20)16(21)6-11/h2-6,8-10,17H,7,22H2,1H3,(H,23,24)(H,25,26)/t17-/m1/s1
InChIKeyPGYLYUYINPOJLP-QGZVFWFLSA-N
MW405.29 g/mol
LogP3.90
Rot. Bonds6

About (2R)-2-amino-3-(3,4-dichlorophenyl)-N-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]propanamide

(2R)-2-amino-3-(3,4-dichlorophenyl)-N-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]propanamide (PubChem CID 118625560) has the molecular formula C19H18Cl2N4O2 and a molecular weight of 405.29 g/mol. Its IUPAC name is (2R)-2-amino-3-(3,4-dichlorophenyl)-N-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]propanamide.

Molecular Properties

Compound Name(2R)-2-amino-3-(3,4-dichlorophenyl)-N-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]propanamide
PubChem CID118625560
Molecular FormulaC19H18Cl2N4O2
Molecular Weight405.29 g/mol
Exact Mass404.08
IUPAC Name(2R)-2-amino-3-(3,4-dichlorophenyl)-N-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]propanamide
SMILESCOc1cc(NC(=O)[C@H](N)Cc2ccc(Cl)c(Cl)c2)ccc1-c1cn[nH]c1
InChIInChI=1S/C19H18Cl2N4O2/c1-27-18-8-13(3-4-14(18)12-9-23-24-10-12)25-19(26)17(22)7-11-2-5-15(20)16(21)6-11/h2-6,8-10,17H,7,22H2,1H3,(H,23,24)(H,25,26)/t17-/m1/s1
InChIKeyPGYLYUYINPOJLP-QGZVFWFLSA-N
XLogP3.90
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.29
LogP ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-(3,4-dichlorophenyl)-N-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]propanamide?
The IUPAC name of (2R)-2-amino-3-(3,4-dichlorophenyl)-N-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]propanamide (CID 118625560) is (2R)-2-amino-3-(3,4-dichlorophenyl)-N-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]propanamide.
What is the SMILES notation for (2R)-2-amino-3-(3,4-dichlorophenyl)-N-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]propanamide?
The canonical SMILES for (2R)-2-amino-3-(3,4-dichlorophenyl)-N-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]propanamide is COc1cc(NC(=O)[C@H](N)Cc2ccc(Cl)c(Cl)c2)ccc1-c1cn[nH]c1.
What is the InChIKey of (2R)-2-amino-3-(3,4-dichlorophenyl)-N-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]propanamide?
The InChIKey is PGYLYUYINPOJLP-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H18Cl2N4O2/c1-27-18-8-13(3-4-14(18)12-9-23-24-10-12)25-19(26)17(22)7-11-2-5-15(20)16(21)6-11/h2-6,8-10,17H,7,22H2,1H3,(H,23,24)(H,25,26)/t17-/m1/s1.
What are the key properties of (2R)-2-amino-3-(3,4-dichlorophenyl)-N-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]propanamide?
(2R)-2-amino-3-(3,4-dichlorophenyl)-N-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]propanamide has a molecular weight of 405.29 g/mol, XLogP of 3.90, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-(3,4-dichlorophenyl)-N-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]propanamide is sourced from PubChem (CID 118625560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).