N-[4-[[2-(3-chloroanilino)-2-oxoethyl]amino]phenyl]propanamide

C17H18ClN3O2 — CID 54835550

IUPACN-[4-[[2-(3-chloroanilino)-2-oxoethyl]amino]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(NCC(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C17H18ClN3O2/c1-2-16(22)20-14-8-6-13(7-9-14)19-11-17(23)21-15-5-3-4-12(18)10-15/h3-10,19H,2,11H2,1H3,(H,20,22)(H,21,23)
InChIKeyTWBXOTIOYRUPOX-UHFFFAOYSA-N
MW331.80 g/mol
LogP3.74
Rot. Bonds6

About N-[4-[[2-(3-chloroanilino)-2-oxoethyl]amino]phenyl]propanamide

N-[4-[[2-(3-chloroanilino)-2-oxoethyl]amino]phenyl]propanamide (PubChem CID 54835550) has the molecular formula C17H18ClN3O2 and a molecular weight of 331.80 g/mol. Its IUPAC name is N-[4-[[2-(3-chloroanilino)-2-oxoethyl]amino]phenyl]propanamide.

Molecular Properties

Compound NameN-[4-[[2-(3-chloroanilino)-2-oxoethyl]amino]phenyl]propanamide
PubChem CID54835550
Molecular FormulaC17H18ClN3O2
Molecular Weight331.80 g/mol
Exact Mass331.11
IUPAC NameN-[4-[[2-(3-chloroanilino)-2-oxoethyl]amino]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(NCC(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C17H18ClN3O2/c1-2-16(22)20-14-8-6-13(7-9-14)19-11-17(23)21-15-5-3-4-12(18)10-15/h3-10,19H,2,11H2,1H3,(H,20,22)(H,21,23)
InChIKeyTWBXOTIOYRUPOX-UHFFFAOYSA-N
XLogP3.74
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 53.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[[2-(3,5-dichloroanilino)-2-oxoethyl]amino]phenyl]propanamide
CID 54835369
N-[3-[[2-(4-methylanilino)acetyl]amino]phenyl]propanamide
CID 54814253
2-methyl-N-[3-[[2-oxo-2-[4-(propanoylamino)anilino]ethyl]amino]phenyl]propanamide
CID 54831495
N-[4-[[2-(3-chloroanilino)acetyl]amino]phenyl]-3-methylbutanamide
CID 54809091
2-(3-chloroanilino)-N-[4-(dimethylamino)phenyl]acetamide
CID 109008440
N-[4-[[2-(3-methoxyanilino)-2-oxoethyl]amino]phenyl]propanamide
CID 54835583
2-(3-chloroanilino)-N-(3,5-dichlorophenyl)acetamide
CID 54809235
2-(3-chloroanilino)-N-(4-propan-2-yloxyphenyl)acetamide
CID 54809371
N-[3-[[2-(5-chloro-2-methylanilino)acetyl]amino]phenyl]propanamide
CID 54819153
N-(3-chlorophenyl)-2-(naphthalen-2-ylamino)acetamide
CID 9082694
N-[3-[[2-(3-chloroanilino)acetyl]amino]phenyl]-2-methylpropanamide
CID 54809062
4-[[2-(3-chloroanilino)acetyl]amino]-N-propylbenzamide
CID 54809400

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(3-chloroanilino)-2-oxoethyl]amino]phenyl]propanamide?
The IUPAC name of N-[4-[[2-(3-chloroanilino)-2-oxoethyl]amino]phenyl]propanamide (CID 54835550) is N-[4-[[2-(3-chloroanilino)-2-oxoethyl]amino]phenyl]propanamide.
What is the SMILES notation for N-[4-[[2-(3-chloroanilino)-2-oxoethyl]amino]phenyl]propanamide?
The canonical SMILES for N-[4-[[2-(3-chloroanilino)-2-oxoethyl]amino]phenyl]propanamide is CCC(=O)Nc1ccc(NCC(=O)Nc2cccc(Cl)c2)cc1.
What is the InChIKey of N-[4-[[2-(3-chloroanilino)-2-oxoethyl]amino]phenyl]propanamide?
The InChIKey is TWBXOTIOYRUPOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O2/c1-2-16(22)20-14-8-6-13(7-9-14)19-11-17(23)21-15-5-3-4-12(18)10-15/h3-10,19H,2,11H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N-[4-[[2-(3-chloroanilino)-2-oxoethyl]amino]phenyl]propanamide?
N-[4-[[2-(3-chloroanilino)-2-oxoethyl]amino]phenyl]propanamide has a molecular weight of 331.80 g/mol, XLogP of 3.74, 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-chloroanilino)-2-oxoethyl]amino]phenyl]propanamide is sourced from PubChem (CID 54835550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).