N-[(3,4-dichlorophenyl)methyl]-4-oxo-N-propan-2-yl-3H-phthalazine-1-carboxamide

C19H17Cl2N3O2 — CID 52671402

IUPACN-[(3,4-dichlorophenyl)methyl]-4-oxo-N-propan-2-yl-3H-phthalazine-1-carboxamide
SMILESCC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)c1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C19H17Cl2N3O2/c1-11(2)24(10-12-7-8-15(20)16(21)9-12)19(26)17-13-5-3-4-6-14(13)18(25)23-22-17/h3-9,11H,10H2,1-2H3,(H,23,25)
InChIKeyQCNUFMDEUYNUDJ-UHFFFAOYSA-N
MW390.27 g/mol
LogP4.28
Rot. Bonds4

About N-[(3,4-dichlorophenyl)methyl]-4-oxo-N-propan-2-yl-3H-phthalazine-1-carboxamide

N-[(3,4-dichlorophenyl)methyl]-4-oxo-N-propan-2-yl-3H-phthalazine-1-carboxamide (PubChem CID 52671402) has the molecular formula C19H17Cl2N3O2 and a molecular weight of 390.27 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-4-oxo-N-propan-2-yl-3H-phthalazine-1-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-4-oxo-N-propan-2-yl-3H-phthalazine-1-carboxamide
PubChem CID52671402
Molecular FormulaC19H17Cl2N3O2
Molecular Weight390.27 g/mol
Exact Mass389.07
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-4-oxo-N-propan-2-yl-3H-phthalazine-1-carboxamide
SMILESCC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)c1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C19H17Cl2N3O2/c1-11(2)24(10-12-7-8-15(20)16(21)9-12)19(26)17-13-5-3-4-6-14(13)18(25)23-22-17/h3-9,11H,10H2,1-2H3,(H,23,25)
InChIKeyQCNUFMDEUYNUDJ-UHFFFAOYSA-N
XLogP4.28
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.27
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,4-dichlorophenyl)methyl]-4-oxo-N-(pyridin-2-ylmethyl)-3H-phthalazine-1-carboxamide
CID 60610103
N-butan-2-yl-N-methyl-4-oxo-3H-phthalazine-1-carboxamide
CID 43583066
2-bromo-N-[(3,4-dichlorophenyl)methyl]-N-propan-2-ylpropanamide
CID 107904496
N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-4-oxo-3H-phthalazine-1-carboxamide
CID 24682450
5-[(3,4-dichlorophenyl)methyl-propan-2-ylcarbamoyl]pyrazine-2-carboxylic acid
CID 120685188
5-bromo-N-[(3,4-dichlorophenyl)methyl]-N-propan-2-ylthiophene-2-carboxamide
CID 63523898
2-bromo-N-[(3,4-dichlorophenyl)methyl]-3-methyl-N-propan-2-ylbutanamide
CID 63463541
N-benzyl-5-nitro-N-propan-2-yl-1H-indazole-3-carboxamide
CID 60550799
methyl 3-[(3,4-dichlorophenyl)methyl-propan-2-ylcarbamoyl]-5-nitrobenzoate
CID 52701013
3-[[benzyl(methyl)carbamoyl]amino]-N-[(3,4-dichlorophenyl)methyl]-N-propan-2-ylpropanamide
CID 56580420
N-benzyl-3-methyl-4-oxo-N-propan-2-ylphthalazine-1-carboxamide
CID 18143283
N-butyl-N-ethyl-4-oxo-3H-phthalazine-1-carboxamide
CID 5220186

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-4-oxo-N-propan-2-yl-3H-phthalazine-1-carboxamide?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-4-oxo-N-propan-2-yl-3H-phthalazine-1-carboxamide (CID 52671402) is N-[(3,4-dichlorophenyl)methyl]-4-oxo-N-propan-2-yl-3H-phthalazine-1-carboxamide.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-4-oxo-N-propan-2-yl-3H-phthalazine-1-carboxamide?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-4-oxo-N-propan-2-yl-3H-phthalazine-1-carboxamide is CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)c1n[nH]c(=O)c2ccccc12.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-4-oxo-N-propan-2-yl-3H-phthalazine-1-carboxamide?
The InChIKey is QCNUFMDEUYNUDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2N3O2/c1-11(2)24(10-12-7-8-15(20)16(21)9-12)19(26)17-13-5-3-4-6-14(13)18(25)23-22-17/h3-9,11H,10H2,1-2H3,(H,23,25).
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-4-oxo-N-propan-2-yl-3H-phthalazine-1-carboxamide?
N-[(3,4-dichlorophenyl)methyl]-4-oxo-N-propan-2-yl-3H-phthalazine-1-carboxamide has a molecular weight of 390.27 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]-4-oxo-N-propan-2-yl-3H-phthalazine-1-carboxamide is sourced from PubChem (CID 52671402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).