4-[[2-(butan-2-ylamino)acetyl]amino]-2-chlorobenzamide

C13H18ClN3O2 — CID 54925002

IUPAC4-[[2-(butan-2-ylamino)acetyl]amino]-2-chlorobenzamide
SMILESCCC(C)NCC(=O)Nc1ccc(C(N)=O)c(Cl)c1
InChIInChI=1S/C13H18ClN3O2/c1-3-8(2)16-7-12(18)17-9-4-5-10(13(15)19)11(14)6-9/h4-6,8,16H,3,7H2,1-2H3,(H2,15,19)(H,17,18)
InChIKeyPMXBGSFYAXRNSI-UHFFFAOYSA-N
MW283.76 g/mol
LogP1.77
Rot. Bonds6

About 4-[[2-(butan-2-ylamino)acetyl]amino]-2-chlorobenzamide

4-[[2-(butan-2-ylamino)acetyl]amino]-2-chlorobenzamide (PubChem CID 54925002) has the molecular formula C13H18ClN3O2 and a molecular weight of 283.76 g/mol. Its IUPAC name is 4-[[2-(butan-2-ylamino)acetyl]amino]-2-chlorobenzamide.

Molecular Properties

Compound Name4-[[2-(butan-2-ylamino)acetyl]amino]-2-chlorobenzamide
PubChem CID54925002
Molecular FormulaC13H18ClN3O2
Molecular Weight283.76 g/mol
Exact Mass283.11
IUPAC Name4-[[2-(butan-2-ylamino)acetyl]amino]-2-chlorobenzamide
SMILESCCC(C)NCC(=O)Nc1ccc(C(N)=O)c(Cl)c1
InChIInChI=1S/C13H18ClN3O2/c1-3-8(2)16-7-12(18)17-9-4-5-10(13(15)19)11(14)6-9/h4-6,8,16H,3,7H2,1-2H3,(H2,15,19)(H,17,18)
InChIKeyPMXBGSFYAXRNSI-UHFFFAOYSA-N
XLogP1.77
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[2-(butan-2-ylamino)acetyl]amino]-2-fluorobenzamide
CID 60853756
4-(butan-2-ylamino)-2-chlorobenzamide
CID 43736488
2-(butan-2-ylamino)-N-(4-chloro-3-fluorophenyl)acetamide
CID 54924903
2-(butan-2-ylamino)-N-(3-chloro-4-cyanophenyl)acetamide
CID 54918086
2-(butan-2-ylamino)-N-[4-(carbamoylamino)phenyl]acetamide
CID 60852680
2-(butan-2-ylamino)-N-(4-chlorophenyl)acetamide
CID 43179385
2-(butan-2-ylamino)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 60646948
4-[(5-amino-4-methylpentanoyl)amino]-2-chlorobenzamide
CID 82010894
N-[3-[[2-(butan-2-ylamino)acetyl]amino]-4-chlorophenyl]butanamide
CID 54829100
2-chloro-4-[3-(ethylamino)propanoylamino]benzamide
CID 62834524
(2S)-2-[[2-(3-chloro-4-methylanilino)-2-oxoethyl]amino]propanoic acid
CID 83194812
2-[[(2S)-butan-2-yl]amino]-N-(3-methylphenyl)acetamide
CID 2386923

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(butan-2-ylamino)acetyl]amino]-2-chlorobenzamide?
The IUPAC name of 4-[[2-(butan-2-ylamino)acetyl]amino]-2-chlorobenzamide (CID 54925002) is 4-[[2-(butan-2-ylamino)acetyl]amino]-2-chlorobenzamide.
What is the SMILES notation for 4-[[2-(butan-2-ylamino)acetyl]amino]-2-chlorobenzamide?
The canonical SMILES for 4-[[2-(butan-2-ylamino)acetyl]amino]-2-chlorobenzamide is CCC(C)NCC(=O)Nc1ccc(C(N)=O)c(Cl)c1.
What is the InChIKey of 4-[[2-(butan-2-ylamino)acetyl]amino]-2-chlorobenzamide?
The InChIKey is PMXBGSFYAXRNSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O2/c1-3-8(2)16-7-12(18)17-9-4-5-10(13(15)19)11(14)6-9/h4-6,8,16H,3,7H2,1-2H3,(H2,15,19)(H,17,18).
What are the key properties of 4-[[2-(butan-2-ylamino)acetyl]amino]-2-chlorobenzamide?
4-[[2-(butan-2-ylamino)acetyl]amino]-2-chlorobenzamide has a molecular weight of 283.76 g/mol, XLogP of 1.77, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(butan-2-ylamino)acetyl]amino]-2-chlorobenzamide is sourced from PubChem (CID 54925002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).