2-(2-chloroanilino)-N-[4-(2,3,4,5-tetrahydrochrysene-1-carbonyl)phenyl]acetamide

C33H27ClN2O2 — CID 174283271

IUPAC2-(2-chloroanilino)-N-[4-(2,3,4,5-tetrahydrochrysene-1-carbonyl)phenyl]acetamide
SMILESO=C(CNc1ccccc1Cl)Nc1ccc(C(=O)C2=c3ccc4c(c3CCC2)CC=c2ccccc2=4)cc1
InChIInChI=1S/C33H27ClN2O2/c34-30-10-3-4-11-31(30)35-20-32(37)36-23-15-12-22(13-16-23)33(38)29-9-5-8-25-27-17-14-21-6-1-2-7-24(21)26(27)18-19-28(25)29/h1-4,6-7,10-16,18-19,35H,5,8-9,17,20H2,(H,36,37)
InChIKeyMKCWLAFFAQDZOM-UHFFFAOYSA-N
MW519.04 g/mol
LogP5.38
Rot. Bonds6

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

2-(2-chloroanilino)-N-[4-(2,3,4,5-tetrahydrochrysene-1-carbonyl)phenyl]acetamide (PubChem CID 174283271) has the molecular formula C33H27ClN2O2 and a molecular weight of 519.04 g/mol. Its IUPAC name is 2-(2-chloroanilino)-N-[4-(2,3,4,5-tetrahydrochrysene-1-carbonyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-chloroanilino)-N-[4-(2,3,4,5-tetrahydrochrysene-1-carbonyl)phenyl]acetamide
PubChem CID174283271
Molecular FormulaC33H27ClN2O2
Molecular Weight519.04 g/mol
Exact Mass518.18
IUPAC Name2-(2-chloroanilino)-N-[4-(2,3,4,5-tetrahydrochrysene-1-carbonyl)phenyl]acetamide
SMILESO=C(CNc1ccccc1Cl)Nc1ccc(C(=O)C2=c3ccc4c(c3CCC2)CC=c2ccccc2=4)cc1
InChIInChI=1S/C33H27ClN2O2/c34-30-10-3-4-11-31(30)35-20-32(37)36-23-15-12-22(13-16-23)33(38)29-9-5-8-25-27-17-14-21-6-1-2-7-24(21)26(27)18-19-28(25)29/h1-4,6-7,10-16,18-19,35H,5,8-9,17,20H2,(H,36,37)
InChIKeyMKCWLAFFAQDZOM-UHFFFAOYSA-N
XLogP5.38
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.04
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloroanilino)-N-[4-[5-(dimethylamino)-2,3,4,5-tetrahydrochrysene-1-carbonyl]phenyl]acetamide
CID 174293277
2-[2-[[4-(2,3,4,5-tetrahydrochrysene-1-carbonyl)phenyl]carbamoyl]phenoxy]acetic acid
CID 174294905
[2-methyl-4-(2-methylanilino)phenyl]-(2,3,4,5-tetrahydrochrysen-1-yl)methanone
CID 174326576
N-[4-[[2-(2-chloroanilino)acetyl]amino]phenyl]propanamide
CID 54810223
N-[4-[[2-(2-chloroanilino)acetyl]amino]phenyl]butanamide
CID 54810199
2-(2-chloroanilino)-N-(3,5-dichlorophenyl)acetamide
CID 54810505
2-(2-chloroanilino)-N-[4-(morpholine-4-carbonyl)phenyl]acetamide
CID 54810418
2-(2-chloroanilino)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 9098739
2-(2-chloroanilino)-N-(4-phenoxyphenyl)acetamide
CID 54810461
3-[[2-(2-chloroanilino)acetyl]amino]benzamide
CID 54810533
2-(2-chloroanilino)-N-(4-propylphenyl)acetamide
CID 30535151
2-(2-chloroanilino)-N-[4-(2-phenoxyethoxy)phenyl]acetamide
CID 54810242

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroanilino)-N-[4-(2,3,4,5-tetrahydrochrysene-1-carbonyl)phenyl]acetamide?
The IUPAC name of 2-(2-chloroanilino)-N-[4-(2,3,4,5-tetrahydrochrysene-1-carbonyl)phenyl]acetamide (CID 174283271) is 2-(2-chloroanilino)-N-[4-(2,3,4,5-tetrahydrochrysene-1-carbonyl)phenyl]acetamide.
What is the SMILES notation for 2-(2-chloroanilino)-N-[4-(2,3,4,5-tetrahydrochrysene-1-carbonyl)phenyl]acetamide?
The canonical SMILES for 2-(2-chloroanilino)-N-[4-(2,3,4,5-tetrahydrochrysene-1-carbonyl)phenyl]acetamide is O=C(CNc1ccccc1Cl)Nc1ccc(C(=O)C2=c3ccc4c(c3CCC2)CC=c2ccccc2=4)cc1.
What is the InChIKey of 2-(2-chloroanilino)-N-[4-(2,3,4,5-tetrahydrochrysene-1-carbonyl)phenyl]acetamide?
The InChIKey is MKCWLAFFAQDZOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H27ClN2O2/c34-30-10-3-4-11-31(30)35-20-32(37)36-23-15-12-22(13-16-23)33(38)29-9-5-8-25-27-17-14-21-6-1-2-7-24(21)26(27)18-19-28(25)29/h1-4,6-7,10-16,18-19,35H,5,8-9,17,20H2,(H,36,37).
What are the key properties of 2-(2-chloroanilino)-N-[4-(2,3,4,5-tetrahydrochrysene-1-carbonyl)phenyl]acetamide?
2-(2-chloroanilino)-N-[4-(2,3,4,5-tetrahydrochrysene-1-carbonyl)phenyl]acetamide has a molecular weight of 519.04 g/mol, XLogP of 5.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroanilino)-N-[4-(2,3,4,5-tetrahydrochrysene-1-carbonyl)phenyl]acetamide is sourced from PubChem (CID 174283271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).