N-[4-(2-amino-2,3,4,5-tetrahydrochrysene-1-carbonyl)phenyl]-3,5-dichlorobenzamide

C32H24Cl2N2O2 — CID 174347072

IUPACN-[4-(2-amino-2,3,4,5-tetrahydrochrysene-1-carbonyl)phenyl]-3,5-dichlorobenzamide
SMILESNC1CCc2c3c(ccc2=C1C(=O)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1)=c1ccccc1=CC3
InChIInChI=1S/C32H24Cl2N2O2/c33-21-15-20(16-22(34)17-21)32(38)36-23-8-5-19(6-9-23)31(37)30-28-12-11-25-24-4-2-1-3-18(24)7-10-26(25)27(28)13-14-29(30)35/h1-9,11-12,15-17,29H,10,13-14,35H2,(H,36,38)
InChIKeyUJEMYFRDOPVQHD-UHFFFAOYSA-N
MW539.46 g/mol
LogP5.18
Rot. Bonds4

About N-[4-(2-amino-2,3,4,5-tetrahydrochrysene-1-carbonyl)phenyl]-3,5-dichlorobenzamide

N-[4-(2-amino-2,3,4,5-tetrahydrochrysene-1-carbonyl)phenyl]-3,5-dichlorobenzamide (PubChem CID 174347072) has the molecular formula C32H24Cl2N2O2 and a molecular weight of 539.46 g/mol. Its IUPAC name is N-[4-(2-amino-2,3,4,5-tetrahydrochrysene-1-carbonyl)phenyl]-3,5-dichlorobenzamide.

Molecular Properties

Compound NameN-[4-(2-amino-2,3,4,5-tetrahydrochrysene-1-carbonyl)phenyl]-3,5-dichlorobenzamide
PubChem CID174347072
Molecular FormulaC32H24Cl2N2O2
Molecular Weight539.46 g/mol
Exact Mass538.12
IUPAC NameN-[4-(2-amino-2,3,4,5-tetrahydrochrysene-1-carbonyl)phenyl]-3,5-dichlorobenzamide
SMILESNC1CCc2c3c(ccc2=C1C(=O)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1)=c1ccccc1=CC3
InChIInChI=1S/C32H24Cl2N2O2/c33-21-15-20(16-22(34)17-21)32(38)36-23-8-5-19(6-9-23)31(37)30-28-12-11-25-24-4-2-1-3-18(24)7-10-26(25)27(28)13-14-29(30)35/h1-9,11-12,15-17,29H,10,13-14,35H2,(H,36,38)
InChIKeyUJEMYFRDOPVQHD-UHFFFAOYSA-N
XLogP5.18
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.46
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dimethoxy-N-[4-(2,3,4,5-tetrahydrochrysene-1-carbonyl)phenyl]benzamide
CID 174412438
3,5-dichloro-N-[4-(4-chlorobenzoyl)phenyl]benzamide
CID 14146500
3,5-dichloro-N-[4-[methyl(phenyl)carbamoyl]phenyl]benzamide
CID 17230299
3,5-dichloro-N-(4-chlorophenyl)benzamide
CID 3382216
N-[4-(4-aminopiperidine-1-carbonyl)phenyl]-3,5-dichlorobenzamide
CID 119373556
N-(4-anilinophenyl)-3,5-dichlorobenzamide
CID 17133461
2-[2-[[4-(2,3,4,5-tetrahydrochrysene-1-carbonyl)phenyl]carbamoyl]phenoxy]acetic acid
CID 174294905
1H-1,4-benzodiazepine;4-methylbenzene-1,3-dicarboxylic acid;2,3,5-trichloro-N-[4-(2,3,4,5-tetrahydrochrysene-1-carbonyl)phenyl]benzamide
CID 174291020
3,5-dichloro-N-[4-(piperidin-4-ylcarbamoyl)phenyl]benzamide
CID 119386610
3,5-dichloro-N-[4-[(3-methylsulfonylphenyl)carbamoyl]phenyl]benzamide
CID 55637881
3,5-dichloro-N-[4-[[4-[(3,5-dichlorobenzoyl)amino]phenyl]methyl]phenyl]benzamide
CID 3995292
3,5-dichloro-N-[3-(phenylcarbamoylamino)phenyl]benzamide
CID 10971378

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-2,3,4,5-tetrahydrochrysene-1-carbonyl)phenyl]-3,5-dichlorobenzamide?
The IUPAC name of N-[4-(2-amino-2,3,4,5-tetrahydrochrysene-1-carbonyl)phenyl]-3,5-dichlorobenzamide (CID 174347072) is N-[4-(2-amino-2,3,4,5-tetrahydrochrysene-1-carbonyl)phenyl]-3,5-dichlorobenzamide.
What is the SMILES notation for N-[4-(2-amino-2,3,4,5-tetrahydrochrysene-1-carbonyl)phenyl]-3,5-dichlorobenzamide?
The canonical SMILES for N-[4-(2-amino-2,3,4,5-tetrahydrochrysene-1-carbonyl)phenyl]-3,5-dichlorobenzamide is NC1CCc2c3c(ccc2=C1C(=O)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1)=c1ccccc1=CC3.
What is the InChIKey of N-[4-(2-amino-2,3,4,5-tetrahydrochrysene-1-carbonyl)phenyl]-3,5-dichlorobenzamide?
The InChIKey is UJEMYFRDOPVQHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24Cl2N2O2/c33-21-15-20(16-22(34)17-21)32(38)36-23-8-5-19(6-9-23)31(37)30-28-12-11-25-24-4-2-1-3-18(24)7-10-26(25)27(28)13-14-29(30)35/h1-9,11-12,15-17,29H,10,13-14,35H2,(H,36,38).
What are the key properties of N-[4-(2-amino-2,3,4,5-tetrahydrochrysene-1-carbonyl)phenyl]-3,5-dichlorobenzamide?
N-[4-(2-amino-2,3,4,5-tetrahydrochrysene-1-carbonyl)phenyl]-3,5-dichlorobenzamide has a molecular weight of 539.46 g/mol, XLogP of 5.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-2,3,4,5-tetrahydrochrysene-1-carbonyl)phenyl]-3,5-dichlorobenzamide is sourced from PubChem (CID 174347072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).