N-[4-chloro-3-[[2-[2-(2,6-dichloroanilino)phenyl]acetyl]amino]phenyl]butanamide

C24H22Cl3N3O2 — CID 54790103

IUPACN-[4-chloro-3-[[2-[2-(2,6-dichloroanilino)phenyl]acetyl]amino]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(Cl)c(NC(=O)Cc2ccccc2Nc2c(Cl)cccc2Cl)c1
InChIInChI=1S/C24H22Cl3N3O2/c1-2-6-22(31)28-16-11-12-17(25)21(14-16)29-23(32)13-15-7-3-4-10-20(15)30-24-18(26)8-5-9-19(24)27/h3-5,7-12,14,30H,2,6,13H2,1H3,(H,28,31)(H,29,32)
InChIKeyGXIWRFHKXSZVJY-UHFFFAOYSA-N
MW490.82 g/mol
LogP7.31
Rot. Bonds8

About N-[4-chloro-3-[[2-[2-(2,6-dichloroanilino)phenyl]acetyl]amino]phenyl]butanamide

N-[4-chloro-3-[[2-[2-(2,6-dichloroanilino)phenyl]acetyl]amino]phenyl]butanamide (PubChem CID 54790103) has the molecular formula C24H22Cl3N3O2 and a molecular weight of 490.82 g/mol. Its IUPAC name is N-[4-chloro-3-[[2-[2-(2,6-dichloroanilino)phenyl]acetyl]amino]phenyl]butanamide.

Molecular Properties

Compound NameN-[4-chloro-3-[[2-[2-(2,6-dichloroanilino)phenyl]acetyl]amino]phenyl]butanamide
PubChem CID54790103
Molecular FormulaC24H22Cl3N3O2
Molecular Weight490.82 g/mol
Exact Mass489.08
IUPAC NameN-[4-chloro-3-[[2-[2-(2,6-dichloroanilino)phenyl]acetyl]amino]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(Cl)c(NC(=O)Cc2ccccc2Nc2c(Cl)cccc2Cl)c1
InChIInChI=1S/C24H22Cl3N3O2/c1-2-6-22(31)28-16-11-12-17(25)21(14-16)29-23(32)13-15-7-3-4-10-20(15)30-24-18(26)8-5-9-19(24)27/h3-5,7-12,14,30H,2,6,13H2,1H3,(H,28,31)(H,29,32)
InChIKeyGXIWRFHKXSZVJY-UHFFFAOYSA-N
XLogP7.31
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.82
LogP ≤ 57.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorophenyl)-2-[2-(2,6-dichloroanilino)phenyl]acetamide
CID 23764468
N-[3-(3-aminopropanoylamino)-4-chlorophenyl]butanamide
CID 82034391
2-[2-(2,6-dichloroanilino)phenyl]-N-(4-propan-2-yloxyphenyl)acetamide
CID 54789933
4-[5-(butanoylamino)-2-chloroanilino]-4-oxobut-2-enoic acid
CID 53407462
N-[4-chloro-3-[[2-(prop-2-enylamino)acetyl]amino]phenyl]butanamide
CID 54818293
N-[3-[[2-(2-bromoanilino)-2-oxoethyl]amino]-4-chlorophenyl]butanamide
CID 54831415
N-[3-[[2-(3-bromoanilino)acetyl]amino]-4-chlorophenyl]butanamide
CID 54840369
N-(2-chloro-5-hydroxyphenyl)butanamide
CID 137473270
N-[3-[[2-(4-acetamidoanilino)acetyl]amino]-4-chlorophenyl]butanamide
CID 54809248
N-[4-[[2-(2-chloroanilino)acetyl]amino]phenyl]butanamide
CID 54810199
3-amino-N-[2-chloro-5-(propanoylamino)phenyl]propanamide
CID 43701444
N-[5-(butanoylamino)-2-chlorophenyl]oxane-4-carboxamide
CID 75496705

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-[[2-[2-(2,6-dichloroanilino)phenyl]acetyl]amino]phenyl]butanamide?
The IUPAC name of N-[4-chloro-3-[[2-[2-(2,6-dichloroanilino)phenyl]acetyl]amino]phenyl]butanamide (CID 54790103) is N-[4-chloro-3-[[2-[2-(2,6-dichloroanilino)phenyl]acetyl]amino]phenyl]butanamide.
What is the SMILES notation for N-[4-chloro-3-[[2-[2-(2,6-dichloroanilino)phenyl]acetyl]amino]phenyl]butanamide?
The canonical SMILES for N-[4-chloro-3-[[2-[2-(2,6-dichloroanilino)phenyl]acetyl]amino]phenyl]butanamide is CCCC(=O)Nc1ccc(Cl)c(NC(=O)Cc2ccccc2Nc2c(Cl)cccc2Cl)c1.
What is the InChIKey of N-[4-chloro-3-[[2-[2-(2,6-dichloroanilino)phenyl]acetyl]amino]phenyl]butanamide?
The InChIKey is GXIWRFHKXSZVJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22Cl3N3O2/c1-2-6-22(31)28-16-11-12-17(25)21(14-16)29-23(32)13-15-7-3-4-10-20(15)30-24-18(26)8-5-9-19(24)27/h3-5,7-12,14,30H,2,6,13H2,1H3,(H,28,31)(H,29,32).
What are the key properties of N-[4-chloro-3-[[2-[2-(2,6-dichloroanilino)phenyl]acetyl]amino]phenyl]butanamide?
N-[4-chloro-3-[[2-[2-(2,6-dichloroanilino)phenyl]acetyl]amino]phenyl]butanamide has a molecular weight of 490.82 g/mol, XLogP of 7.31, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-[[2-[2-(2,6-dichloroanilino)phenyl]acetyl]amino]phenyl]butanamide is sourced from PubChem (CID 54790103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).