N-[2-[4-(3-amino-3-oxopropoxy)anilino]-2-oxoethyl]-3-chlorobenzamide

C18H18ClN3O4 — CID 55839601

IUPACN-[2-[4-(3-amino-3-oxopropoxy)anilino]-2-oxoethyl]-3-chlorobenzamide
SMILESNC(=O)CCOc1ccc(NC(=O)CNC(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C18H18ClN3O4/c19-13-3-1-2-12(10-13)18(25)21-11-17(24)22-14-4-6-15(7-5-14)26-9-8-16(20)23/h1-7,10H,8-9,11H2,(H2,20,23)(H,21,25)(H,22,24)
InChIKeyMQFXAIHBCVVUNH-UHFFFAOYSA-N
MW375.81 g/mol
LogP1.96
Rot. Bonds8

About N-[2-[4-(3-amino-3-oxopropoxy)anilino]-2-oxoethyl]-3-chlorobenzamide

N-[2-[4-(3-amino-3-oxopropoxy)anilino]-2-oxoethyl]-3-chlorobenzamide (PubChem CID 55839601) has the molecular formula C18H18ClN3O4 and a molecular weight of 375.81 g/mol. Its IUPAC name is N-[2-[4-(3-amino-3-oxopropoxy)anilino]-2-oxoethyl]-3-chlorobenzamide.

Molecular Properties

Compound NameN-[2-[4-(3-amino-3-oxopropoxy)anilino]-2-oxoethyl]-3-chlorobenzamide
PubChem CID55839601
Molecular FormulaC18H18ClN3O4
Molecular Weight375.81 g/mol
Exact Mass375.10
IUPAC NameN-[2-[4-(3-amino-3-oxopropoxy)anilino]-2-oxoethyl]-3-chlorobenzamide
SMILESNC(=O)CCOc1ccc(NC(=O)CNC(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C18H18ClN3O4/c19-13-3-1-2-12(10-13)18(25)21-11-17(24)22-14-4-6-15(7-5-14)26-9-8-16(20)23/h1-7,10H,8-9,11H2,(H2,20,23)(H,21,25)(H,22,24)
InChIKeyMQFXAIHBCVVUNH-UHFFFAOYSA-N
XLogP1.96
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.81
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]benzamide
CID 9442489
3-chloro-N-[2-oxo-2-(4-sulfamoylanilino)ethyl]benzamide
CID 9314380
3-chloro-N-[2-oxo-2-(4-propan-2-ylanilino)ethyl]benzamide
CID 24537992
3-chloro-N-[2-[2-(4-methoxyphenoxy)ethylamino]-2-oxoethyl]benzamide
CID 24637931
3-chloro-N-[2-[4-(cyclopropanecarbonylamino)anilino]-2-oxoethyl]benzamide
CID 26058931
3-amino-N-[4-(3-amino-3-oxopropoxy)phenyl]propanamide
CID 43700453
3-chloro-N-[2-[4-(methylsulfamoyl)anilino]-2-oxoethyl]benzamide
CID 9219617
3-chloro-N-[4-[[2-(4-methylphenoxy)acetyl]amino]phenyl]benzamide
CID 4674584
3-chloro-N-[2-(3-methylanilino)-2-oxoethyl]benzamide
CID 772080
N-[4-(3-amino-3-oxopropoxy)phenyl]-5-(3-chlorophenyl)-1,2-oxazole-3-carboxamide
CID 55839867
3-chloro-N-[2-(3-cyanoanilino)-2-oxoethyl]benzamide
CID 9245643
3-chloro-N-[4-(3-methylbutoxy)phenyl]benzamide
CID 4949868

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(3-amino-3-oxopropoxy)anilino]-2-oxoethyl]-3-chlorobenzamide?
The IUPAC name of N-[2-[4-(3-amino-3-oxopropoxy)anilino]-2-oxoethyl]-3-chlorobenzamide (CID 55839601) is N-[2-[4-(3-amino-3-oxopropoxy)anilino]-2-oxoethyl]-3-chlorobenzamide.
What is the SMILES notation for N-[2-[4-(3-amino-3-oxopropoxy)anilino]-2-oxoethyl]-3-chlorobenzamide?
The canonical SMILES for N-[2-[4-(3-amino-3-oxopropoxy)anilino]-2-oxoethyl]-3-chlorobenzamide is NC(=O)CCOc1ccc(NC(=O)CNC(=O)c2cccc(Cl)c2)cc1.
What is the InChIKey of N-[2-[4-(3-amino-3-oxopropoxy)anilino]-2-oxoethyl]-3-chlorobenzamide?
The InChIKey is MQFXAIHBCVVUNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O4/c19-13-3-1-2-12(10-13)18(25)21-11-17(24)22-14-4-6-15(7-5-14)26-9-8-16(20)23/h1-7,10H,8-9,11H2,(H2,20,23)(H,21,25)(H,22,24).
What are the key properties of N-[2-[4-(3-amino-3-oxopropoxy)anilino]-2-oxoethyl]-3-chlorobenzamide?
N-[2-[4-(3-amino-3-oxopropoxy)anilino]-2-oxoethyl]-3-chlorobenzamide has a molecular weight of 375.81 g/mol, XLogP of 1.96, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(3-amino-3-oxopropoxy)anilino]-2-oxoethyl]-3-chlorobenzamide is sourced from PubChem (CID 55839601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).