N-[4-[[2-(2-chloroanilino)acetyl]amino]phenyl]butanamide

C18H20ClN3O2 — CID 54810199

IUPACN-[4-[[2-(2-chloroanilino)acetyl]amino]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(NC(=O)CNc2ccccc2Cl)cc1
InChIInChI=1S/C18H20ClN3O2/c1-2-5-17(23)21-13-8-10-14(11-9-13)22-18(24)12-20-16-7-4-3-6-15(16)19/h3-4,6-11,20H,2,5,12H2,1H3,(H,21,23)(H,22,24)
InChIKeyYIQAVCXWTJFNFI-UHFFFAOYSA-N
MW345.83 g/mol
LogP4.13
Rot. Bonds7

About N-[4-[[2-(2-chloroanilino)acetyl]amino]phenyl]butanamide

N-[4-[[2-(2-chloroanilino)acetyl]amino]phenyl]butanamide (PubChem CID 54810199) has the molecular formula C18H20ClN3O2 and a molecular weight of 345.83 g/mol. Its IUPAC name is N-[4-[[2-(2-chloroanilino)acetyl]amino]phenyl]butanamide.

Molecular Properties

Compound NameN-[4-[[2-(2-chloroanilino)acetyl]amino]phenyl]butanamide
PubChem CID54810199
Molecular FormulaC18H20ClN3O2
Molecular Weight345.83 g/mol
Exact Mass345.12
IUPAC NameN-[4-[[2-(2-chloroanilino)acetyl]amino]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(NC(=O)CNc2ccccc2Cl)cc1
InChIInChI=1S/C18H20ClN3O2/c1-2-5-17(23)21-13-8-10-14(11-9-13)22-18(24)12-20-16-7-4-3-6-15(16)19/h3-4,6-11,20H,2,5,12H2,1H3,(H,21,23)(H,22,24)
InChIKeyYIQAVCXWTJFNFI-UHFFFAOYSA-N
XLogP4.13
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 54.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[[2-(2-chloroanilino)acetyl]amino]phenyl]propanamide
CID 54810223
2-(2-chloroanilino)-N-(4-propylphenyl)acetamide
CID 30535151
N-[3-[[2-(2-bromoanilino)-2-oxoethyl]amino]-4-chlorophenyl]butanamide
CID 54831415
2-(2-chloroanilino)-N-(3,5-dichlorophenyl)acetamide
CID 54810505
2-(2-chloroanilino)-N-(4-phenoxyphenyl)acetamide
CID 54810461
N-[3-[[2-(4-acetamidoanilino)acetyl]amino]-4-chlorophenyl]butanamide
CID 54809248
4-[[2-[5-(butanoylamino)-2-chloroanilino]acetyl]amino]-N-methylbenzamide
CID 54831238
N-[4-[[2-(3-chloro-2-methylanilino)acetyl]amino]phenyl]propanamide
CID 54815126
2-(2-chloroanilino)-N-[4-(2-phenoxyethoxy)phenyl]acetamide
CID 54810242
N-[3-[[2-(2,4,5-trichloroanilino)acetyl]amino]phenyl]butanamide
CID 54816397
N-(4-acetamidophenyl)-2-(2,3-dichloroanilino)acetamide
CID 54816111
2-(2-chloroanilino)-N-[4-(difluoromethylsulfanyl)phenyl]acetamide
CID 9098703

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(2-chloroanilino)acetyl]amino]phenyl]butanamide?
The IUPAC name of N-[4-[[2-(2-chloroanilino)acetyl]amino]phenyl]butanamide (CID 54810199) is N-[4-[[2-(2-chloroanilino)acetyl]amino]phenyl]butanamide.
What is the SMILES notation for N-[4-[[2-(2-chloroanilino)acetyl]amino]phenyl]butanamide?
The canonical SMILES for N-[4-[[2-(2-chloroanilino)acetyl]amino]phenyl]butanamide is CCCC(=O)Nc1ccc(NC(=O)CNc2ccccc2Cl)cc1.
What is the InChIKey of N-[4-[[2-(2-chloroanilino)acetyl]amino]phenyl]butanamide?
The InChIKey is YIQAVCXWTJFNFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O2/c1-2-5-17(23)21-13-8-10-14(11-9-13)22-18(24)12-20-16-7-4-3-6-15(16)19/h3-4,6-11,20H,2,5,12H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N-[4-[[2-(2-chloroanilino)acetyl]amino]phenyl]butanamide?
N-[4-[[2-(2-chloroanilino)acetyl]amino]phenyl]butanamide has a molecular weight of 345.83 g/mol, XLogP of 4.13, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(2-chloroanilino)acetyl]amino]phenyl]butanamide is sourced from PubChem (CID 54810199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).