N-[4-[[2-(3-chloro-2-methylanilino)acetyl]amino]phenyl]propanamide

C18H20ClN3O2 — CID 54815126

IUPACN-[4-[[2-(3-chloro-2-methylanilino)acetyl]amino]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(NC(=O)CNc2cccc(Cl)c2C)cc1
InChIInChI=1S/C18H20ClN3O2/c1-3-17(23)21-13-7-9-14(10-8-13)22-18(24)11-20-16-6-4-5-15(19)12(16)2/h4-10,20H,3,11H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyCIFRTIUSKYGBNB-UHFFFAOYSA-N
MW345.83 g/mol
LogP4.05
Rot. Bonds6

About N-[4-[[2-(3-chloro-2-methylanilino)acetyl]amino]phenyl]propanamide

N-[4-[[2-(3-chloro-2-methylanilino)acetyl]amino]phenyl]propanamide (PubChem CID 54815126) has the molecular formula C18H20ClN3O2 and a molecular weight of 345.83 g/mol. Its IUPAC name is N-[4-[[2-(3-chloro-2-methylanilino)acetyl]amino]phenyl]propanamide.

Molecular Properties

Compound NameN-[4-[[2-(3-chloro-2-methylanilino)acetyl]amino]phenyl]propanamide
PubChem CID54815126
Molecular FormulaC18H20ClN3O2
Molecular Weight345.83 g/mol
Exact Mass345.12
IUPAC NameN-[4-[[2-(3-chloro-2-methylanilino)acetyl]amino]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(NC(=O)CNc2cccc(Cl)c2C)cc1
InChIInChI=1S/C18H20ClN3O2/c1-3-17(23)21-13-7-9-14(10-8-13)22-18(24)11-20-16-6-4-5-15(19)12(16)2/h4-10,20H,3,11H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyCIFRTIUSKYGBNB-UHFFFAOYSA-N
XLogP4.05
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 54.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[[2-(3-chloro-2-methylanilino)acetyl]amino]-2-methylphenyl]propanamide
CID 54814911
N-[4-[[2-(2-chloroanilino)acetyl]amino]phenyl]propanamide
CID 54810223
2-(3-chloro-2-methylanilino)-N-[4-(diethylsulfamoyl)phenyl]acetamide
CID 9099238
N-[3-[[2-(2-chloroanilino)acetyl]amino]-2-methylphenyl]propanamide
CID 54810419
N-(4-acetamidophenyl)-2-(2,3-dichloroanilino)acetamide
CID 54816111
N-[3-[[2-(3-chloro-2-methylanilino)acetyl]amino]phenyl]hexanamide
CID 54815058
N-[2-methyl-3-[[2-oxo-2-(2,4,5-trichloroanilino)ethyl]amino]phenyl]propanamide
CID 54844752
N-(3-chloro-2-methylphenyl)-2-(2,3-dichloroanilino)acetamide
CID 33162844
N-[4-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]phenyl]-3-methylbutanamide
CID 54831753
2-(3-chloro-2-methylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 26417495
N-[4-[[2-(2-chloroanilino)acetyl]amino]phenyl]butanamide
CID 54810199
2-(3-chloro-2-methylanilino)-N-(2-fluorophenyl)acetamide
CID 9099260

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(3-chloro-2-methylanilino)acetyl]amino]phenyl]propanamide?
The IUPAC name of N-[4-[[2-(3-chloro-2-methylanilino)acetyl]amino]phenyl]propanamide (CID 54815126) is N-[4-[[2-(3-chloro-2-methylanilino)acetyl]amino]phenyl]propanamide.
What is the SMILES notation for N-[4-[[2-(3-chloro-2-methylanilino)acetyl]amino]phenyl]propanamide?
The canonical SMILES for N-[4-[[2-(3-chloro-2-methylanilino)acetyl]amino]phenyl]propanamide is CCC(=O)Nc1ccc(NC(=O)CNc2cccc(Cl)c2C)cc1.
What is the InChIKey of N-[4-[[2-(3-chloro-2-methylanilino)acetyl]amino]phenyl]propanamide?
The InChIKey is CIFRTIUSKYGBNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O2/c1-3-17(23)21-13-7-9-14(10-8-13)22-18(24)11-20-16-6-4-5-15(19)12(16)2/h4-10,20H,3,11H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N-[4-[[2-(3-chloro-2-methylanilino)acetyl]amino]phenyl]propanamide?
N-[4-[[2-(3-chloro-2-methylanilino)acetyl]amino]phenyl]propanamide has a molecular weight of 345.83 g/mol, XLogP of 4.05, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(3-chloro-2-methylanilino)acetyl]amino]phenyl]propanamide is sourced from PubChem (CID 54815126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).