4-[(carbamoylamino)methyl]-N-[1-(2,4-dichlorophenyl)ethyl]benzamide

C17H17Cl2N3O2 — CID 78772937

IUPAC4-[(carbamoylamino)methyl]-N-[1-(2,4-dichlorophenyl)ethyl]benzamide
SMILESCC(NC(=O)c1ccc(CNC(N)=O)cc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H17Cl2N3O2/c1-10(14-7-6-13(18)8-15(14)19)22-16(23)12-4-2-11(3-5-12)9-21-17(20)24/h2-8,10H,9H2,1H3,(H,22,23)(H3,20,21,24)
InChIKeyHSBIYTDKNKQFQE-UHFFFAOYSA-N
MW366.25 g/mol
LogP3.65
Rot. Bonds5

About 4-[(carbamoylamino)methyl]-N-[1-(2,4-dichlorophenyl)ethyl]benzamide

4-[(carbamoylamino)methyl]-N-[1-(2,4-dichlorophenyl)ethyl]benzamide (PubChem CID 78772937) has the molecular formula C17H17Cl2N3O2 and a molecular weight of 366.25 g/mol. Its IUPAC name is 4-[(carbamoylamino)methyl]-N-[1-(2,4-dichlorophenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-[(carbamoylamino)methyl]-N-[1-(2,4-dichlorophenyl)ethyl]benzamide
PubChem CID78772937
Molecular FormulaC17H17Cl2N3O2
Molecular Weight366.25 g/mol
Exact Mass365.07
IUPAC Name4-[(carbamoylamino)methyl]-N-[1-(2,4-dichlorophenyl)ethyl]benzamide
SMILESCC(NC(=O)c1ccc(CNC(N)=O)cc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H17Cl2N3O2/c1-10(14-7-6-13(18)8-15(14)19)22-16(23)12-4-2-11(3-5-12)9-21-17(20)24/h2-8,10H,9H2,1H3,(H,22,23)(H3,20,21,24)
InChIKeyHSBIYTDKNKQFQE-UHFFFAOYSA-N
XLogP3.65
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.25
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(carbamoylamino)methyl]-N-[1-(4-chlorophenyl)ethyl]benzamide
CID 78775923
4-[[[N-[1-(2,4-dichlorophenyl)ethyl]-N'-methylcarbamimidoyl]amino]methyl]benzamide;hydroiodide
CID 111310253
4-amino-N-[1-(2,4-dichlorophenyl)ethyl]benzamide
CID 43101350
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-4-methylsulfonylbenzamide
CID 9441444
2,6-dichloro-N-[1-(2,4-dichlorophenyl)ethyl]pyridine-4-carboxamide
CID 43235797
4-[(carbamoylamino)methyl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 78808360
N-[1-(2,4-dichlorophenyl)ethyl]-2-[(4-methylphenyl)methylcarbamoylamino]acetamide
CID 24609586
4-[(carbamoylamino)methyl]-N-[(2R)-1-hydroxypropan-2-yl]benzamide
CID 79027939
methyl 2-[[4-[(carbamoylamino)methyl]benzoyl]amino]propanoate
CID 60669043
2-[4-[[(1S)-1-(2,5-dichlorophenyl)ethyl]carbamoyl]phenyl]acetic acid
CID 166399623
5,6-dichloro-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]pyridine-3-carboxamide
CID 7941890
N-[2-[[amino-[1-(2,4-dichlorophenyl)ethylamino]methylidene]amino]ethyl]-4-fluorobenzamide
CID 138997614

Frequently Asked Questions

What is the IUPAC name of 4-[(carbamoylamino)methyl]-N-[1-(2,4-dichlorophenyl)ethyl]benzamide?
The IUPAC name of 4-[(carbamoylamino)methyl]-N-[1-(2,4-dichlorophenyl)ethyl]benzamide (CID 78772937) is 4-[(carbamoylamino)methyl]-N-[1-(2,4-dichlorophenyl)ethyl]benzamide.
What is the SMILES notation for 4-[(carbamoylamino)methyl]-N-[1-(2,4-dichlorophenyl)ethyl]benzamide?
The canonical SMILES for 4-[(carbamoylamino)methyl]-N-[1-(2,4-dichlorophenyl)ethyl]benzamide is CC(NC(=O)c1ccc(CNC(N)=O)cc1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 4-[(carbamoylamino)methyl]-N-[1-(2,4-dichlorophenyl)ethyl]benzamide?
The InChIKey is HSBIYTDKNKQFQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N3O2/c1-10(14-7-6-13(18)8-15(14)19)22-16(23)12-4-2-11(3-5-12)9-21-17(20)24/h2-8,10H,9H2,1H3,(H,22,23)(H3,20,21,24).
What are the key properties of 4-[(carbamoylamino)methyl]-N-[1-(2,4-dichlorophenyl)ethyl]benzamide?
4-[(carbamoylamino)methyl]-N-[1-(2,4-dichlorophenyl)ethyl]benzamide has a molecular weight of 366.25 g/mol, XLogP of 3.65, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(carbamoylamino)methyl]-N-[1-(2,4-dichlorophenyl)ethyl]benzamide is sourced from PubChem (CID 78772937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).