3-[[1-(3,4-dichlorophenyl)ethylcarbamoylamino]methyl]benzamide

C17H17Cl2N3O2 — CID 134006547

IUPAC3-[[1-(3,4-dichlorophenyl)ethylcarbamoylamino]methyl]benzamide
SMILESCC(NC(=O)NCc1cccc(C(N)=O)c1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H17Cl2N3O2/c1-10(12-5-6-14(18)15(19)8-12)22-17(24)21-9-11-3-2-4-13(7-11)16(20)23/h2-8,10H,9H2,1H3,(H2,20,23)(H2,21,22,24)
InChIKeyLQUDDXRAPNBEJZ-UHFFFAOYSA-N
MW366.25 g/mol
LogP3.65
Rot. Bonds5

About 3-[[1-(3,4-dichlorophenyl)ethylcarbamoylamino]methyl]benzamide

3-[[1-(3,4-dichlorophenyl)ethylcarbamoylamino]methyl]benzamide (PubChem CID 134006547) has the molecular formula C17H17Cl2N3O2 and a molecular weight of 366.25 g/mol. Its IUPAC name is 3-[[1-(3,4-dichlorophenyl)ethylcarbamoylamino]methyl]benzamide.

Molecular Properties

Compound Name3-[[1-(3,4-dichlorophenyl)ethylcarbamoylamino]methyl]benzamide
PubChem CID134006547
Molecular FormulaC17H17Cl2N3O2
Molecular Weight366.25 g/mol
Exact Mass365.07
IUPAC Name3-[[1-(3,4-dichlorophenyl)ethylcarbamoylamino]methyl]benzamide
SMILESCC(NC(=O)NCc1cccc(C(N)=O)c1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H17Cl2N3O2/c1-10(12-5-6-14(18)15(19)8-12)22-17(24)21-9-11-3-2-4-13(7-11)16(20)23/h2-8,10H,9H2,1H3,(H2,20,23)(H2,21,22,24)
InChIKeyLQUDDXRAPNBEJZ-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

3-(chloromethyl)-N-[1-(3,4-dichlorophenyl)ethyl]benzamide
CID 43470617
1-benzyl-3-[(1S)-1-(3-chlorophenyl)ethyl]urea
CID 27533669
2-[(3,4-dichlorophenyl)methylcarbamoylamino]propanamide
CID 69169188
3-[(propanoylamino)methyl]benzamide
CID 32636451
2-[3-[[[N-[1-(3,4-dichlorophenyl)ethyl]-N'-methylcarbamimidoyl]amino]methyl]phenoxy]acetamide
CID 111984473
3-[(carbamoylamino)methyl]benzamide
CID 166184789
1-[(1R)-1-(3-chloro-4-fluorophenyl)ethyl]-3-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]urea
CID 52504531
1-[(1S)-1-(3-chloro-4-fluorophenyl)ethyl]-3-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]urea
CID 52504529
N-[(1R)-1-(3,4-dichlorophenyl)ethyl]benzamide
CID 793526
4-(acetamidomethyl)-N-[1-(3,4-dichlorophenyl)ethyl]benzamide
CID 78804735
3-[(1-thiophen-3-ylethylcarbamoylamino)methyl]benzoic acid
CID 62844610
3-[[[(1S)-1-phenylethyl]amino]methyl]benzamide
CID 28564891

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(3,4-dichlorophenyl)ethylcarbamoylamino]methyl]benzamide?
The IUPAC name of 3-[[1-(3,4-dichlorophenyl)ethylcarbamoylamino]methyl]benzamide (CID 134006547) is 3-[[1-(3,4-dichlorophenyl)ethylcarbamoylamino]methyl]benzamide.
What is the SMILES notation for 3-[[1-(3,4-dichlorophenyl)ethylcarbamoylamino]methyl]benzamide?
The canonical SMILES for 3-[[1-(3,4-dichlorophenyl)ethylcarbamoylamino]methyl]benzamide is CC(NC(=O)NCc1cccc(C(N)=O)c1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-[[1-(3,4-dichlorophenyl)ethylcarbamoylamino]methyl]benzamide?
The InChIKey is LQUDDXRAPNBEJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N3O2/c1-10(12-5-6-14(18)15(19)8-12)22-17(24)21-9-11-3-2-4-13(7-11)16(20)23/h2-8,10H,9H2,1H3,(H2,20,23)(H2,21,22,24).
What are the key properties of 3-[[1-(3,4-dichlorophenyl)ethylcarbamoylamino]methyl]benzamide?
3-[[1-(3,4-dichlorophenyl)ethylcarbamoylamino]methyl]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 3-[[1-(3,4-dichlorophenyl)ethylcarbamoylamino]methyl]benzamide is sourced from PubChem (CID 134006547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).