N-[3-[(2,4-dimethoxyphenyl)carbamoylamino]propyl]-2-fluorobenzamide

C19H22FN3O4 — CID 47987974

IUPACN-[3-[(2,4-dimethoxyphenyl)carbamoylamino]propyl]-2-fluorobenzamide
SMILESCOc1ccc(NC(=O)NCCCNC(=O)c2ccccc2F)c(OC)c1
InChIInChI=1S/C19H22FN3O4/c1-26-13-8-9-16(17(12-13)27-2)23-19(25)22-11-5-10-21-18(24)14-6-3-4-7-15(14)20/h3-4,6-9,12H,5,10-11H2,1-2H3,(H,21,24)(H2,22,23,25)
InChIKeyQNNPFBDATDPXTN-UHFFFAOYSA-N
MW375.40 g/mol
LogP2.78
Rot. Bonds8

About N-[3-[(2,4-dimethoxyphenyl)carbamoylamino]propyl]-2-fluorobenzamide

N-[3-[(2,4-dimethoxyphenyl)carbamoylamino]propyl]-2-fluorobenzamide (PubChem CID 47987974) has the molecular formula C19H22FN3O4 and a molecular weight of 375.40 g/mol. Its IUPAC name is N-[3-[(2,4-dimethoxyphenyl)carbamoylamino]propyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[3-[(2,4-dimethoxyphenyl)carbamoylamino]propyl]-2-fluorobenzamide
PubChem CID47987974
Molecular FormulaC19H22FN3O4
Molecular Weight375.40 g/mol
Exact Mass375.16
IUPAC NameN-[3-[(2,4-dimethoxyphenyl)carbamoylamino]propyl]-2-fluorobenzamide
SMILESCOc1ccc(NC(=O)NCCCNC(=O)c2ccccc2F)c(OC)c1
InChIInChI=1S/C19H22FN3O4/c1-26-13-8-9-16(17(12-13)27-2)23-19(25)22-11-5-10-21-18(24)14-6-3-4-7-15(14)20/h3-4,6-9,12H,5,10-11H2,1-2H3,(H,21,24)(H2,22,23,25)
InChIKeyQNNPFBDATDPXTN-UHFFFAOYSA-N
XLogP2.78
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.40
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2,4-dimethoxyphenyl)-3-(3-phenoxypropyl)urea
CID 108883150
1-(2,4-dimethoxyphenyl)-3-(3-oxobutyl)urea
CID 108895113
1-(2,4-dimethoxyphenyl)-3-(3-hydroxy-3-phenylpropyl)urea
CID 90499727
N-[3-[2-[(2,5-dimethoxyphenyl)methylidene]hydrazinyl]-3-oxopropyl]-2-fluorobenzamide
CID 4239499
1-[2-(dibutylamino)ethyl]-3-(2,4-dimethoxyphenyl)urea
CID 74226685
2-fluoro-N-[3-[[4-(trifluoromethoxy)phenyl]carbamoylamino]propyl]benzamide
CID 47987463
N-[6-[(2,4-dimethoxybenzoyl)amino]hexyl]-2,4-dimethoxybenzamide
CID 4051354
N-[8-[(2,4-dimethoxybenzoyl)amino]octyl]-2,4-dimethoxybenzamide
CID 3517424
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 3-[(2-methoxybenzoyl)amino]propanoate
CID 7827506
N-(2,4-dimethoxyphenyl)-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide
CID 26735156
2-fluoro-4-methoxy-N-(3-phenylpropyl)benzamide
CID 17408402
2-chloro-N-(2,4-dimethoxyphenyl)benzamide
CID 722324

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2,4-dimethoxyphenyl)carbamoylamino]propyl]-2-fluorobenzamide?
The IUPAC name of N-[3-[(2,4-dimethoxyphenyl)carbamoylamino]propyl]-2-fluorobenzamide (CID 47987974) is N-[3-[(2,4-dimethoxyphenyl)carbamoylamino]propyl]-2-fluorobenzamide.
What is the SMILES notation for N-[3-[(2,4-dimethoxyphenyl)carbamoylamino]propyl]-2-fluorobenzamide?
The canonical SMILES for N-[3-[(2,4-dimethoxyphenyl)carbamoylamino]propyl]-2-fluorobenzamide is COc1ccc(NC(=O)NCCCNC(=O)c2ccccc2F)c(OC)c1.
What is the InChIKey of N-[3-[(2,4-dimethoxyphenyl)carbamoylamino]propyl]-2-fluorobenzamide?
The InChIKey is QNNPFBDATDPXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O4/c1-26-13-8-9-16(17(12-13)27-2)23-19(25)22-11-5-10-21-18(24)14-6-3-4-7-15(14)20/h3-4,6-9,12H,5,10-11H2,1-2H3,(H,21,24)(H2,22,23,25).
What are the key properties of N-[3-[(2,4-dimethoxyphenyl)carbamoylamino]propyl]-2-fluorobenzamide?
N-[3-[(2,4-dimethoxyphenyl)carbamoylamino]propyl]-2-fluorobenzamide has a molecular weight of 375.40 g/mol, XLogP of 2.78, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2,4-dimethoxyphenyl)carbamoylamino]propyl]-2-fluorobenzamide is sourced from PubChem (CID 47987974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).