3-amino-N-[2-chloro-5-(propanoylamino)phenyl]propanamide

C12H16ClN3O2 — CID 43701444

IUPAC3-amino-N-[2-chloro-5-(propanoylamino)phenyl]propanamide
SMILESCCC(=O)Nc1ccc(Cl)c(NC(=O)CCN)c1
InChIInChI=1S/C12H16ClN3O2/c1-2-11(17)15-8-3-4-9(13)10(7-8)16-12(18)5-6-14/h3-4,7H,2,5-6,14H2,1H3,(H,15,17)(H,16,18)
InChIKeyYXCAXKAAXOAMEJ-UHFFFAOYSA-N
MW269.73 g/mol
LogP1.98
Rot. Bonds5

About 3-amino-N-[2-chloro-5-(propanoylamino)phenyl]propanamide

3-amino-N-[2-chloro-5-(propanoylamino)phenyl]propanamide (PubChem CID 43701444) has the molecular formula C12H16ClN3O2 and a molecular weight of 269.73 g/mol. Its IUPAC name is 3-amino-N-[2-chloro-5-(propanoylamino)phenyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[2-chloro-5-(propanoylamino)phenyl]propanamide
PubChem CID43701444
Molecular FormulaC12H16ClN3O2
Molecular Weight269.73 g/mol
Exact Mass269.09
IUPAC Name3-amino-N-[2-chloro-5-(propanoylamino)phenyl]propanamide
SMILESCCC(=O)Nc1ccc(Cl)c(NC(=O)CCN)c1
InChIInChI=1S/C12H16ClN3O2/c1-2-11(17)15-8-3-4-9(13)10(7-8)16-12(18)5-6-14/h3-4,7H,2,5-6,14H2,1H3,(H,15,17)(H,16,18)
InChIKeyYXCAXKAAXOAMEJ-UHFFFAOYSA-N
XLogP1.98
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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N-[3-(4-aminobutanoylamino)-4-chlorophenyl]pentanamide
CID 39193099
N-[3-[[2-[(2-aminoacetyl)amino]acetyl]amino]-4-chlorophenyl]propanamide
CID 60847975
N-[2-chloro-5-(propanoylamino)phenyl]-3-(propan-2-ylamino)propanamide
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N-(5-acetamido-2-chlorophenyl)-4-aminobutanamide;hydrochloride
CID 119280748
N-(5-acetamido-2-chlorophenyl)-7-aminoheptanamide;hydrochloride
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N-[5-(3-aminopropanoylamino)-2-chlorophenyl]thiophene-2-carboxamide
CID 82034454
N-[4-chloro-3-[[2-(prop-2-ynylamino)acetyl]amino]phenyl]propanamide
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3-amino-N-[2-chloro-5-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]propanamide
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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-chloro-5-(propanoylamino)phenyl]propanamide?
The IUPAC name of 3-amino-N-[2-chloro-5-(propanoylamino)phenyl]propanamide (CID 43701444) is 3-amino-N-[2-chloro-5-(propanoylamino)phenyl]propanamide.
What is the SMILES notation for 3-amino-N-[2-chloro-5-(propanoylamino)phenyl]propanamide?
The canonical SMILES for 3-amino-N-[2-chloro-5-(propanoylamino)phenyl]propanamide is CCC(=O)Nc1ccc(Cl)c(NC(=O)CCN)c1.
What is the InChIKey of 3-amino-N-[2-chloro-5-(propanoylamino)phenyl]propanamide?
The InChIKey is YXCAXKAAXOAMEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O2/c1-2-11(17)15-8-3-4-9(13)10(7-8)16-12(18)5-6-14/h3-4,7H,2,5-6,14H2,1H3,(H,15,17)(H,16,18).
What are the key properties of 3-amino-N-[2-chloro-5-(propanoylamino)phenyl]propanamide?
3-amino-N-[2-chloro-5-(propanoylamino)phenyl]propanamide has a molecular weight of 269.73 g/mol, XLogP of 1.98, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-chloro-5-(propanoylamino)phenyl]propanamide is sourced from PubChem (CID 43701444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).